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

Systemtic Name: propan-2-yl 4-[[2,5-bis(oxidanylidene)-4-phenylsulfanyl-1-(4-propoxycarbonylphenyl)pyrrol-3-yl]amino]benzoate Openeye Name: isopropyl 4-[[2,5-dioxo-4-phenylsulfanyl-1-(4-propoxycarbonylphenyl)pyrrol-3-yl]amino]benzoate CAS Name: 4-[[2,5-dioxo-1-[4-[oxo(propoxy)methyl]phenyl]-4-(phenylthio)-3-pyrrolyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2,5-dioxo-4-phenylsulfanyl-1-(4-propoxycarbonylphenyl)pyrrol-3-yl]amino]benzoate Traditional Name: 4-[[2,5-diketo-4-(phenylthio)-1-(4-propoxycarbonylphenyl)-3-pyrrolin-3-yl]amino]benzoic acid isopropyl ester Formula: C30H28N2O6S MolecularWeight: 544.61812

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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=CC=C3)NC4=CC=C(C=C4)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H28N2O6S/c1-4-18-37-29(35)20-12-16-23(17-13-20)32-27(33)25(26(28(32)34)39-24-8-6-5-7-9-24)31-22-14-10-21(11-15-22)30(36)38-19(2)3/h5-17,19,31H,4,18H2,1-3H3