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

Systemtic Name: [(1S)-2-[(4-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenyl-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [(1S)-2-keto-2-(p-anisidino)-1-phenyl-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)NC

InChI

InChI=1S/C21H21N3O4S/c1-13-17(20(22-2)29-24-13)21(26)28-18(14-7-5-4-6-8-14)19(25)23-15-9-11-16(27-3)12-10-15/h4-12,18,22H,1-3H3,(H,23,25)/t18-/m0/s1