[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H17N3O4S/c17-7-3-8-18-14(20)10-23-16(22)6-9-19-12-4-1-2-5-13(12)24-11-15(19)21/h1-2,4-5H,3,6,8-11H2,(H,18,20)