6-[[3-(2-carbazol-9-yl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-(2-carbazol-9-yl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-(2-carbazol-9-yl-2-oxo-ethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3-[[2-(9-carbazolyl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-[(2-carbazol-9-yl-2-keto-ethyl)thio]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C28H24N2O4S MolecularWeight: 484.56616

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC(=CC=C2)SCC(=O)N3C4=CC=CC=C4C5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=CC(=CC=C2)SCC(=O)N3C4=CC=CC=C4C5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C28H24N2O4S/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/h1-11,14-16,22-23H,12-13,17H2,(H,29,32)(H,33,34)