[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrNO3S/c1-12-2-6-14(7-3-12)19-16(20)10-22-17(21)11-23-15-8-4-13(18)5-9-15/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3,(H,19,20)