[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C16H20BrNO3S MolecularWeight: 386.3039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2CCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2CCCC2

InChI

InChI=1S/C16H20BrNO3S/c1-11-8-12(17)6-7-14(11)22-10-16(20)21-9-15(19)18-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,18,19)