1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C19H19NO4S/c1-22-14-9-13(10-15(11-14)23-2)7-8-19(21)24-12-18-20-16-5-3-4-6-17(16)25-18/h3-6,9-11H,7-8,12H2,1-2H3