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

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)O[C@H](C)C(=O)NC2=C(C=CS2)C#N)C

InChI

InChI=1S/C19H20N2O3S2/c1-12-4-5-16(10-13(12)2)25-9-7-17(22)24-14(3)18(23)21-19-15(11-20)6-8-26-19/h4-6,8,10,14H,7,9H2,1-3H3,(H,21,23)/t14-/m1/s1