Ethyl 1-Methyl-5-Oxo-4-[(4-Phenylsulfanylphenyl)Amino]-2H-Pyrrole-3-Carboxylate
[CAS# 77711-87-6]

Identification

• Name: Ethyl 1-Methyl-5-Oxo-4-[(4-Phenylsulfanylphenyl)Amino]-2H-Pyrrole-3-Carboxylate
• Synonyms: 1-Methyl-5-Oxo-4-[[4-(Phenylthio)Phenyl]Amino]-2H-Pyrrole-3-Carboxylic Acid Ethyl Ester; 5-Keto-1-Methyl-4-[[4-(Phenylthio)Phenyl]Amino]-3-Pyrroline-3-Carboxylic Acid Ethyl Ester; 1H-Pyrrole-3-Carboxylic Acid, 2,5-Dihydro-1-Methyl-5-Oxo-4-((4-(Phenylthio)Phenyl)Amino)-, Ethyl Ester
• Molecular Formula: C₂₀H₂₀N₂O₃S
• Molecular Weight: 368.45
• CAS Registry Number: 77711-87-6
• SMILES: C1=CC(=CC=C1NC2=C(CN(C2=O)C)C(=O)OCC)SC3=CC=CC=C3
• InChI: 1S/C20H20N2O3S/c1-3-25-20(24)17-13-22(2)19(23)18(17)21-14-9-11-16(12-10-14)26-15-7-5-4-6-8-15/h4-12,21H,3,13H2,1-2H3
• InChIKey: YTPNBTOTLNRARN-UHFFFAOYSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 581.373°C at 760 mmHg (Cal.)
• Flash point: 305.403°C (Cal.)