[2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2R)-2-[(4-bromophenyl)methylthio]propanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-[(4-bromobenzyl)thio]propionic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1CCCC1)SCC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1CCCC1)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrNO3S/c1-12(23-11-13-6-8-14(18)9-7-13)17(21)22-10-16(20)19-15-4-2-3-5-15/h6-9,12,15H,2-5,10-11H2,1H3,(H,19,20)/t12-/m1/s1