[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C22H18N2O3S2/c1-14(21(25)19-10-23-20-5-3-2-4-18(19)20)27-22(26)15-6-8-17(9-7-15)29-12-16-11-28-13-24-16/h2-11,13-14,23H,12H2,1H3