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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-4-phenylmethoxy-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-benzyloxy-3-methoxy-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-4-phenylmethoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-4-phenylmethoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-benzoxy-3-methoxy-phenyl)pent-4-enoic acid Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO4S/c1-30-23-16-19(11-13-22(23)31-17-18-7-3-2-4-8-18)15-20(12-14-25(28)29)26-27-21-9-5-6-10-24(21)32-26/h2-11,13,15-16H,12,14,17H2,1H3,(H,28,29)/b20-15+