[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-diphenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-diphenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2,4-diphenylthiazole-5-carboxylate CAS Name: 2,4-diphenyl-5-thiazolecarboxylic acid [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2,4-diphenyl-1,3-thiazole-5-carboxylate Traditional Name: 2,4-diphenylthiazole-5-carboxylic acid [(1S)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C1=C(N=C(S1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N(C)CCC#N)OC(=O)C1=C(N=C(S1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S/c1-16(22(27)26(2)15-9-14-24)29-23(28)20-19(17-10-5-3-6-11-17)25-21(30-20)18-12-7-4-8-13-18/h3-8,10-13,16H,9,15H2,1-2H3/t16-/m0/s1