[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-methyl-5-thiazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C18H17N3O4S/c1-10(20)14(8-19)15(22)9-25-18(23)16-11(2)21-17(26-16)12-4-6-13(24-3)7-5-12/h4-7,14,20H,9H2,1-3H3/t14-/m1/s1