[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C14H13N3O4S/c1-2-5-15-14(20)17-12(18)7-21-13(19)9-3-4-10-11(6-9)22-8-16-10/h2-4,6,8H,1,5,7H2,(H2,15,17,18,20)