[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-methyl-5-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-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C20H21N3O4S/c1-12-17(28-18(22-12)13-4-8-15(26-3)9-5-13)19(25)27-10-16(24)23-20(2,11-21)14-6-7-14/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,23,24)/t20-/m1/s1