2-[[3-(2-carbazol-9-yl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(2-carbazol-9-yl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(2-carbazol-9-yl-2-oxo-ethyl)sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-[[2-(9-carbazolyl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[(2-carbazol-9-yl-2-keto-ethyl)thio]phenyl]carbamoyl]benzoic acid Formula: C28H20N2O4S MolecularWeight: 480.5344

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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=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)CSC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C28H20N2O4S/c31-26(30-24-14-5-3-10-20(24)21-11-4-6-15-25(21)30)17-35-19-9-7-8-18(16-19)29-27(32)22-12-1-2-13-23(22)28(33)34/h1-16H,17H2,(H,29,32)(H,33,34)