(phenylmethyl) 3-(3-ethanoylsulfanyl-2-oxidanylidene-propyl)indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-ethanoylsulfanyl-2-oxidanylidene-propyl)indole-1-carboxylate Openeye Name: benzyl 3-(3-acetylsulfanyl-2-oxo-propyl)indole-1-carboxylate CAS Name: 3-[3-(acetylthio)-2-oxopropyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-acetylsulfanyl-2-oxopropyl)indole-1-carboxylate Traditional Name: 3-[3-(acetylthio)-2-keto-propyl]indole-1-carboxylic acid benzyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)CC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(=O)CC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c1-15(23)27-14-18(24)11-17-12-22(20-10-6-5-9-19(17)20)21(25)26-13-16-7-3-2-4-8-16/h2-10,12H,11,13-14H2,1H3