[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O3S2/c1-12(19(24)14-10-21-15-7-3-2-6-13(14)15)25-18(23)11-26-20-22-16-8-4-5-9-17(16)27-20/h2-10,12,21H,11H2,1H3