[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(4-ethylphenyl)thiazole-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-thiazolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-ethylphenyl)thiazole-4-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H17N3O3S/c1-3-12-4-6-13(7-5-12)17-21-15(10-25-17)18(23)24-9-16(22)14(8-19)11(2)20/h4-7,10,14,20H,3,9H2,1-2H3/t14-/m0/s1