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

Systemtic Name: 6-[[3-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-(2-indolin-1-yl-2-oxo-ethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-[(2-indolin-1-yl-2-keto-ethyl)thio]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC(=C3)NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC(=C3)NC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C24H24N2O4S/c27-22(26-13-12-16-6-1-4-11-21(16)26)15-31-18-8-5-7-17(14-18)25-23(28)19-9-2-3-10-20(19)24(29)30/h1-8,11,14,19-20H,9-10,12-13,15H2,(H,25,28)(H,29,30)