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

Systemtic Name: [2-oxidanylidene-2-(phenylmethoxycarbonylamino)ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(benzyloxycarbonylamino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-oxo-2-(phenylmethoxycarbonylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenylmethoxycarbonylamino)ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(benzyloxycarbonylamino)-2-keto-ethyl] ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC(=O)OCC2=CC=CC=C2)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC(=O)OCC2=CC=CC=C2)NC

InChI

InChI=1S/C16H17N3O5S/c1-10-13(14(17-2)25-19-10)15(21)23-9-12(20)18-16(22)24-8-11-6-4-3-5-7-11/h3-7,17H,8-9H2,1-2H3,(H,18,20,22)