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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H17N3O4S/c1-2-9-17-16(22)19-13(20)10-23-15(21)8-7-14-18-11-5-3-4-6-12(11)24-14/h2-6H,1,7-10H2,(H2,17,19,20,22)