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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)pent-4-enoate Formula: C21H18NO5S- MolecularWeight: 396.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5S/c1-25-16-11-13(12-17-20(16)27-9-8-26-17)10-14(6-7-19(23)24)21-22-15-4-2-3-5-18(15)28-21/h2-5,10-12H,6-9H2,1H3,(H,23,24)/p-1/b14-10+