[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-(4-ethylphenyl)thiazole-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-thiazolecarboxylic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-ethylphenyl)thiazole-4-carboxylic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O[C@H](C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-3-16-10-12-17(13-11-16)21-24-19(14-28-21)22(26)27-15(2)20(25)23-18-8-6-4-5-7-9-18/h10-15,18H,3-9H2,1-2H3,(H,23,25)/t15-/m1/s1