[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)C

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-11(2)8-17-15(19)9-21-16(20)13-6-4-5-7-14(13)22-10-12(3)18/h4-7,11H,8-10H2,1-3H3,(H,17,19)