[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)NC

InChI

InChI=1S/C17H20N4O4S/c1-10-13(15(18-3)26-21-10)16(23)25-11(2)14(22)20-17(24)19-9-12-7-5-4-6-8-12/h4-8,11,18H,9H2,1-3H3,(H2,19,20,22,24)