[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C17H23NO3S2/c1-11(2)12(3)18-15(19)10-21-16(20)13-4-6-14(7-5-13)17-22-8-9-23-17/h4-7,11-12,17H,8-10H2,1-3H3,(H,18,19)