[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(p-tolyl)thiazole-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-thiazolecarboxylic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(p-tolyl)thiazole-4-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C19H19N3O3S/c1-12-3-5-13(6-4-12)17-21-15(10-26-17)18(24)25-9-16(23)22-19(2,11-20)14-7-8-14/h3-6,10,14H,7-9H2,1-2H3,(H,22,23)/t19-/m1/s1