[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H15N3O4S/c1-15-14(20)17-11(18)8-21-13(19)7-6-12-16-9-4-2-3-5-10(9)22-12/h2-5H,6-8H2,1H3,(H2,15,17,18,20)