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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=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/C30H28N2O6S/c1-4-17-37-29(35)21-9-8-10-22(18-21)31-25-26(39-24-11-6-5-7-12-24)28(34)32(27(25)33)23-15-13-20(14-16-23)30(36)38-19(2)3/h5-16,18-19,31H,4,17H2,1-3H3