[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OC(C)C(=O)NC2CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)O[C@H](C)C(=O)NC2CC2)C

InChI

InChI=1S/C17H23NO3S/c1-11-4-7-15(10-12(11)2)22-9-8-16(19)21-13(3)17(20)18-14-5-6-14/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H,18,20)/t13-/m1/s1