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

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-18(11-19,13-7-8-13)21-15(22)9-24-17(23)14-10-25-16(20-14)12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3,(H,21,22)/t18-/m0/s1