[(1S)-1-cyanoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-1-cyanoethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [(1S)-1-cyanoethyl] ester Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O2S/c1-9(8-15)18-14(17)13-12(16-10(2)19-13)11-6-4-3-5-7-11/h3-7,9H,1-2H3/t9-/m0/s1