1,3-benzothiazol-2-ylmethyl 3,4,5-triethoxybenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3,4,5-triethoxybenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23NO5S/c1-4-24-16-11-14(12-17(25-5-2)20(16)26-6-3)21(23)27-13-19-22-15-9-7-8-10-18(15)28-19/h7-12H,4-6,13H2,1-3H3