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

Systemtic Name: ethyl 4-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4S/c1-3-32-26(31)18-11-13-20(14-12-18)28-24(29)22(27-19-7-5-4-6-8-19)23(25(28)30)33-21-15-9-17(2)10-16-21/h4-16,27H,3H2,1-2H3