(E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-5-enoate Formula: C21H18NO4S- MolecularWeight: 380.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=C(CCCC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C(\CCCC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19NO4S/c23-20(24)7-3-4-15(21-22-16-5-1-2-6-19(16)27-21)12-14-8-9-17-18(13-14)26-11-10-25-17/h1-2,5-6,8-9,12-13H,3-4,7,10-11H2,(H,23,24)/p-1/b15-12+