ethyl 5-methylsulfanyl-1,3-diphenyl-4-(phenylcarbonyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 5-methylsulfanyl-1,3-diphenyl-4-(phenylcarbonyl)pyrrole-2-carboxylate Openeye Name: ethyl 4-benzoyl-5-methylsulfanyl-1,3-diphenyl-pyrrole-2-carboxylate CAS Name: 4-benzoyl-5-(methylthio)-1,3-diphenyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzoyl-5-methylsulfanyl-1,3-diphenylpyrrole-2-carboxylate Traditional Name: 4-benzoyl-5-(methylthio)-1,3-diphenyl-pyrrole-2-carboxylic acid ethyl ester Formula: C27H23NO3S MolecularWeight: 441.54142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C2=CC=CC=C2)SC)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C2=CC=CC=C2)SC)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3S/c1-3-31-27(30)24-22(19-13-7-4-8-14-19)23(25(29)20-15-9-5-10-16-20)26(32-2)28(24)21-17-11-6-12-18-21/h4-18H,3H2,1-2H3