[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC(=O)[C@@H](C#N)C(=N)C)C

InChI

InChI=1S/C18H21N3O4S/c1-11-4-5-15(12(2)6-11)21-17(23)9-26-10-18(24)25-8-16(22)14(7-19)13(3)20/h4-6,14,20H,8-10H2,1-3H3,(H,21,23)/t14-/m0/s1