2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-ethoxy-3-methoxy-benzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-ethoxy-3-methoxy-benzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)OC

InChI

InChI=1S/C19H19NO7S/c1-3-26-15-9-8-13(12-16(15)25-2)19(22)27-11-10-20-18(21)14-6-4-5-7-17(14)28(20,23)24/h4-9,12H,3,10-11H2,1-2H3