propan-2-yl 4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate

Systemtic Name: propan-2-yl 4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate Openeye Name: isopropyl 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate CAS Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyric acid isopropyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(C)OC(=O)CCCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C14H17NO5S/c1-10(2)20-13(16)8-5-9-15-14(17)11-6-3-4-7-12(11)21(15,18)19/h3-4,6-7,10H,5,8-9H2,1-2H3