[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H17N3O4S/c1-2-11-21-20(26)23-17(24)12-27-19(25)14-8-4-3-7-13(14)18-22-15-9-5-6-10-16(15)28-18/h2-10H,1,11-12H2,(H2,21,23,24,26)