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

Systemtic Name: 6-[[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-[[2-keto-2-(2-methylindolin-1-yl)ethyl]thio]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CSC3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C25H26N2O4S/c1-16-14-17-6-2-5-9-22(17)27(16)23(28)15-32-19-12-10-18(11-13-19)26-24(29)20-7-3-4-8-21(20)25(30)31/h2-6,9-13,16,20-21H,7-8,14-15H2,1H3,(H,26,29)(H,30,31)