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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)SC4=CC=CC=C4

InChI

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