6-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(2-indolin-1-yl-2-oxo-1-phenyl-ethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-[(2-indolin-1-yl-2-keto-1-phenyl-ethyl)thio]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C30H28N2O4S MolecularWeight: 512.61932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5CC=CCC5C(=O)O

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5CC=CCC5C(=O)O

InChI

InChI=1S/C30H28N2O4S/c33-28(24-11-5-6-12-25(24)30(35)36)31-22-14-16-23(17-15-22)37-27(21-9-2-1-3-10-21)29(34)32-19-18-20-8-4-7-13-26(20)32/h1-10,13-17,24-25,27H,11-12,18-19H2,(H,31,33)(H,35,36)