propyl 2-[3-[(4-methylphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate

Systemtic Name: propyl 2-[3-[(4-methylphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 2-[3-(4-methylanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 2-[3-(4-methylanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 2-[3-(4-methylanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 2-[2,5-diketo-3-(phenylthio)-4-(p-toluidino)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C

InChI

InChI=1S/C27H24N2O4S/c1-3-17-33-27(32)21-11-7-8-12-22(21)29-25(30)23(28-19-15-13-18(2)14-16-19)24(26(29)31)34-20-9-5-4-6-10-20/h4-16,28H,3,17H2,1-2H3