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

Systemtic Name: propyl 4-[3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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