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

Systemtic Name: propan-2-yl 4-[3-[(4-butylphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[3-(4-butylanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(4-butylanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(4-butylanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(4-butylanilino)-2,5-diketo-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C30H30N2O4S MolecularWeight: 514.6352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C30H30N2O4S/c1-4-5-9-21-12-16-23(17-13-21)31-26-27(37-25-10-7-6-8-11-25)29(34)32(28(26)33)24-18-14-22(15-19-24)30(35)36-20(2)3/h6-8,10-20,31H,4-5,9H2,1-3H3