[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C22H20N2O3S2/c1-15-10-17-4-2-3-5-20(17)24(15)21(25)11-27-22(26)16-6-8-19(9-7-16)29-13-18-12-28-14-23-18/h2-9,12,14-15H,10-11,13H2,1H3