(E)-3-(1,3-benzothiazol-2-yl)-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)but-3-enoate Formula: C20H16NO5S- MolecularWeight: 382.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=C(CC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C(\CC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17NO5S/c1-24-15-9-12(10-16-19(15)26-7-6-25-16)8-13(11-18(22)23)20-21-14-4-2-3-5-17(14)27-20/h2-5,8-10H,6-7,11H2,1H3,(H,22,23)/p-1/b13-8+