[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c1-11-4-5-14(8-12(11)2)23-7-6-17(21)22-10-16(20)15(9-18)13(3)19/h4-5,8,15,19H,6-7,10H2,1-3H3/t15-/m0/s1