5,6-dimethoxy-2-(3-pyridin-2-ylpropyl)-1,2-benzothiazol-3-one

Systemtic Name: 5,6-dimethoxy-2-(3-pyridin-2-ylpropyl)-1,2-benzothiazol-3-one Openeye Name: 5,6-dimethoxy-2-[3-(2-pyridyl)propyl]-1,2-benzothiazol-3-one CAS Name: 5,6-dimethoxy-2-[3-(2-pyridinyl)propyl]-1,2-benzothiazol-3-one IUPAC Name: 5,6-dimethoxy-2-(3-pyridin-2-ylpropyl)-1,2-benzothiazol-3-one Traditional Name: 5,6-dimethoxy-2-[3-(2-pyridyl)propyl]-1,2-benzothiazol-3-one Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(S2)CCCC3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(S2)CCCC3=CC=CC=N3)OC

InChI

InChI=1S/C17H18N2O3S/c1-21-14-10-13-16(11-15(14)22-2)23-19(17(13)20)9-5-7-12-6-3-4-8-18-12/h3-4,6,8,10-11H,5,7,9H2,1-2H3