methyl 4-anthracen-1-yl-5-(4-chlorophenyl)carbonyl-2-phenylazanyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-anthracen-1-yl-5-(4-chlorophenyl)carbonyl-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: methyl 2-anilino-4-(1-anthryl)-5-(4-chlorobenzoyl)thiophene-3-carboxylate CAS Name: 2-anilino-4-(1-anthracenyl)-5-[(4-chlorophenyl)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-anilino-4-anthracen-1-yl-5-(4-chlorobenzoyl)thiophene-3-carboxylate Traditional Name: 2-anilino-4-(1-anthryl)-5-(4-chlorobenzoyl)thiophene-3-carboxylic acid methyl ester Formula: C33H22ClNO3S MolecularWeight: 548.05068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1C2=CC=CC3=CC4=CC=CC=C4C=C32)C(=O)C5=CC=C(C=C5)Cl)NC6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(SC(=C1C2=CC=CC3=CC4=CC=CC=C4C=C32)C(=O)C5=CC=C(C=C5)Cl)NC6=CC=CC=C6

InChI

InChI=1S/C33H22ClNO3S/c1-38-33(37)29-28(26-13-7-10-23-18-21-8-5-6-9-22(21)19-27(23)26)31(30(36)20-14-16-24(34)17-15-20)39-32(29)35-25-11-3-2-4-12-25/h2-19,35H,1H3