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

Systemtic Name: butyl 4-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/C28H26N2O4S/c1-3-4-18-34-28(33)20-12-14-22(15-13-20)30-26(31)24(29-21-8-6-5-7-9-21)25(27(30)32)35-23-16-10-19(2)11-17-23/h5-17,29H,3-4,18H2,1-2H3