(E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-1,3-benzodioxol-5-yl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-1,3-benzodioxol-5-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-1,3-benzodioxol-5-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-1,3-benzodioxol-5-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-1,3-benzodioxol-5-yl)pent-4-enoic acid Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

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