[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)OCC(=O)[C@@H](C#N)C(=N)C)C

InChI

InChI=1S/C19H20N4O3S/c1-12-4-5-15(8-13(12)2)23-7-6-22-19(23)27-11-18(25)26-10-17(24)16(9-20)14(3)21/h4-8,16,21H,10-11H2,1-3H3/t16-/m0/s1