4-[[3-(2-carbazol-9-yl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[[3-(2-carbazol-9-yl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[[3-(2-carbazol-9-yl-2-oxo-ethyl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[[3-[[2-(9-carbazolyl)-2-oxoethyl]thio]anilino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[[3-[(2-carbazol-9-yl-2-keto-ethyl)thio]phenyl]carbamoyl]isophthalic acid Formula: C29H20N2O6S MolecularWeight: 524.5439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)CSC4=CC=CC(=C4)NC(=O)C5=C(C=C(C=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)CSC4=CC=CC(=C4)NC(=O)C5=C(C=C(C=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C29H20N2O6S/c32-26(31-24-10-3-1-8-20(24)21-9-2-4-11-25(21)31)16-38-19-7-5-6-18(15-19)30-27(33)22-13-12-17(28(34)35)14-23(22)29(36)37/h1-15H,16H2,(H,30,33)(H,34,35)(H,36,37)