[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)SC

InChI

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