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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NCC2=CC=CC=C2)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NCC2=CC=CC=C2)NC

InChI

InChI=1S/C15H17N3O3S/c1-10-13(14(16-2)22-18-10)15(20)21-9-12(19)17-8-11-6-4-3-5-7-11/h3-7,16H,8-9H2,1-2H3,(H,17,19)