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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OCC(=O)C(C#N)C(=N)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(S1)C(=O)OCC(=O)[C@H](C#N)C(=N)C)C2=CC=CC=C2

InChI

InChI=1S/C17H15N3O3S/c1-10(19)13(8-18)14(21)9-23-17(22)16-15(20-11(2)24-16)12-6-4-3-5-7-12/h3-7,13,19H,9H2,1-2H3/t13-/m1/s1