ethyl 5-(4-chlorophenyl)-2-methyl-1-(2-phenylsulfanylethanoylamino)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-(2-phenylsulfanylethanoylamino)pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-[(2-phenylsulfanylacetyl)amino]pyrrole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-methyl-1-[[1-oxo-2-(phenylthio)ethyl]amino]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-[(2-phenylsulfanylacetyl)amino]pyrrole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-methyl-1-[[2-(phenylthio)acetyl]amino]pyrrole-3-carboxylic acid ethyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C22H21ClN2O3S/c1-3-28-22(27)19-13-20(16-9-11-17(23)12-10-16)25(15(19)2)24-21(26)14-29-18-7-5-4-6-8-18/h4-13H,3,14H2,1-2H3,(H,24,26)