[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OC(C)C(=O)NC2CCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)O[C@H](C)C(=O)NC2CCCC2)C

InChI

InChI=1S/C18H25NO3S/c1-12-8-9-16(10-13(12)2)23-11-17(20)22-14(3)18(21)19-15-6-4-5-7-15/h8-10,14-15H,4-7,11H2,1-3H3,(H,19,21)/t14-/m1/s1