[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H16BrNO3S MolecularWeight: 358.25074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H16BrNO3S/c1-9(14(18)16-11-4-5-11)19-13(17)8-20-12-6-2-10(15)3-7-12/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,18)