[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S/c1-12(2)8-9-18-16(20)10-22-17(21)14-6-4-5-7-15(14)23-11-13(3)19/h4-7,12H,8-11H2,1-3H3,(H,18,20)