2-(2-Chloro-Acetylamino)-6-Methyl-4,5,6,7-Tetrahydro-Benzo[b]Thiophene-3-Carboxylic Acid Ethyl Ester
[CAS# 76981-87-8]

Identification

• Name: 2-(2-Chloro-Acetylamino)-6-Methyl-4,5,6,7-Tetrahydro-Benzo[b]Thiophene-3-Carboxylic Acid Ethyl Ester
• Synonyms: Ethyl (6S)-2-[(2-Chloroacetyl)Amino]-6-Methyl-4,5,6,7-Tetrahydrobenzothiophene-3-Carboxylate; (6S)-2-[(2-Chloro-1-Oxoethyl)Amino]-6-Methyl-4,5,6,7-Tetrahydrobenzothiophene-3-Carboxylic Acid Ethyl Ester; (6S)-2-[(2-Chloroacetyl)Amino]-6-Methyl-4,5,6,7-Tetrahydrobenzothiophene-3-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₁₄H₁₈ClNO₃S
• Molecular Weight: 315.81
• CAS Registry Number: 76981-87-8
• SMILES: [C@H]2(CC1=C(C(=C(S1)NC(=O)CCl)C(OCC)=O)CC2)C
• InChI: 1S/C14H18ClNO3S/c1-3-19-14(18)12-9-5-4-8(2)6-10(9)20-13(12)16-11(17)7-15/h8H,3-7H2,1-2H3,(H,16,17)/t8-/m0/s1
• InChIKey: WZZDTSHULCEHQQ-QMMMGPOBSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 517.498°C at 760 mmHg (Cal.)
• Flash point: 266.774°C (Cal.)