Ethyl 5-Oxo-4-[(4-Phenylsulfanylphenyl)Amino]-1-Propan-2-Yl-2H-Pyrrole-3-Carboxylate
[CAS# 77711-88-7]

Identification

• Name: Ethyl 5-Oxo-4-[(4-Phenylsulfanylphenyl)Amino]-1-Propan-2-Yl-2H-Pyrrole-3-Carboxylate
• Synonyms: Ethyl 1-Isopropyl-5-Oxo-4-[(4-Phenylsulfanylphenyl)Amino]-2H-Pyrrole-3-Carboxylate; 1-Isopropyl-5-Oxo-4-[[4-(Phenylthio)Phenyl]Amino]-2H-Pyrrole-3-Carboxylic Acid Ethyl Ester; 1-Isopropyl-5-Keto-4-[[4-(Phenylthio)Phenyl]Amino]-3-Pyrroline-3-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₂₂H₂₄N₂O₃S
• Molecular Weight: 396.50
• CAS Registry Number: 77711-88-7
• SMILES: C2=C(NC1=C(CN(C1=O)C(C)C)C(OCC)=O)C=CC(=C2)SC3=CC=CC=C3
• InChI: 1S/C22H24N2O3S/c1-4-27-22(26)19-14-24(15(2)3)21(25)20(19)23-16-10-12-18(13-11-16)28-17-8-6-5-7-9-17/h5-13,15,23H,4,14H2,1-3H3
• InChIKey: MWVOGGOTSMCWDD-UHFFFAOYSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 591.299°C at 760 mmHg (Cal.)
• Flash point: 311.407°C (Cal.)