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

Systemtic Name: 4-[[2,5-bis(oxidanylidene)-4-phenylsulfanyl-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C27H21N2O6S- MolecularWeight: 501.53044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C27H22N2O6S/c1-16(2)35-27(34)18-10-14-20(15-11-18)29-24(30)22(28-19-12-8-17(9-13-19)26(32)33)23(25(29)31)36-21-6-4-3-5-7-21/h3-16,28H,1-2H3,(H,32,33)/p-1