methyl 4-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-anilino-2,5-dioxo-4-(p-tolylsulfanyl)pyrrol-1-yl]benzoate CAS Name: 4-[3-anilino-4-[(4-methylphenyl)thio]-2,5-dioxo-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-anilino-4-(4-methylphenyl)sulfanyl-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-anilino-2,5-diketo-4-(p-tolylthio)-3-pyrrolin-1-yl]benzoic acid methyl ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)NC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4S/c1-16-8-14-20(15-9-16)32-22-21(26-18-6-4-3-5-7-18)23(28)27(24(22)29)19-12-10-17(11-13-19)25(30)31-2/h3-15,26H,1-2H3