ethyl 4-[[2-[(4-chlorophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[[2-[(4-chlorophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-(4-chlorophenyl)propanoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: 4-[[2-[(acetylthio)methyl]-3-(4-chlorophenyl)-1-oxopropyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-(4-chlorophenyl)propanoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-[[2-[(acetylthio)methyl]-3-(4-chlorophenyl)propanoyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1)NC(=O)C(CC2=CC=C(C=C2)Cl)CSC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CN1)NC(=O)C(CC2=CC=C(C=C2)Cl)CSC(=O)C

InChI

InChI=1S/C19H21ClN2O4S/c1-3-26-19(25)17-9-16(10-21-17)22-18(24)14(11-27-12(2)23)8-13-4-6-15(20)7-5-13/h4-7,9-10,14,21H,3,8,11H2,1-2H3,(H,22,24)