methyl 4-[2-(2,1,3-benzothiadiazol-5-yl)-3-ethoxy-3-oxidanylidene-propyl]benzoate

Systemtic Name: methyl 4-[2-(2,1,3-benzothiadiazol-5-yl)-3-ethoxy-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 4-[2-(2,1,3-benzothiadiazol-5-yl)-3-ethoxy-3-oxo-propyl]benzoate CAS Name: 4-[2-(2,1,3-benzothiadiazol-5-yl)-3-ethoxy-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,1,3-benzothiadiazol-5-yl)-3-ethoxy-3-oxopropyl]benzoate Traditional Name: 4-(3-ethoxy-3-keto-2-piazthiol-5-yl-propyl)benzoic acid methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(=O)OC)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C(=O)OC)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C19H18N2O4S/c1-3-25-19(23)15(14-8-9-16-17(11-14)21-26-20-16)10-12-4-6-13(7-5-12)18(22)24-2/h4-9,11,15H,3,10H2,1-2H3