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

Systemtic Name: ethyl 4-[[2,5-bis(oxidanylidene)-4-phenylsulfanyl-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoate Openeye Name: ethyl 4-[[1-(4-isopropoxycarbonylphenyl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoate CAS Name: 4-[[2,5-dioxo-1-[4-[oxo(propan-2-yloxy)methyl]phenyl]-4-(phenylthio)-3-pyrrolyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,5-dioxo-4-phenylsulfanyl-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoate Traditional Name: 4-[[1-(4-isopropoxycarbonylphenyl)-2,5-diketo-4-(phenylthio)-3-pyrrolin-3-yl]amino]benzoic acid ethyl ester Formula: C29H26N2O6S MolecularWeight: 530.59154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=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

CCOC(=O)C1=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/C29H26N2O6S/c1-4-36-28(34)19-10-14-21(15-11-19)30-24-25(38-23-8-6-5-7-9-23)27(33)31(26(24)32)22-16-12-20(13-17-22)29(35)37-18(2)3/h5-18,30H,4H2,1-3H3