[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C17H22BrNO3S/c1-12-4-3-7-19(9-12)16(20)10-22-17(21)11-23-15-6-5-14(18)8-13(15)2/h5-6,8,12H,3-4,7,9-11H2,1-2H3