[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CNC(=O)COC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H18BrNO3S/c1-10(2)7-16-13(17)8-19-14(18)9-20-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,17)