[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C13H13N3O4S/c1-7(11(17)16-13(19)14-2)20-12(18)8-3-4-9-10(5-8)21-6-15-9/h3-7H,1-2H3,(H2,14,16,17,19)/t7-/m0/s1