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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-4-prop-2-enoxy-phenyl)pent-4-enoic acid Openeye Name: (E)-5-(4-allyloxy-3-methoxy-phenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-4-prop-2-enoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-4-prop-2-enoxyphenyl)pent-4-enoic acid Traditional Name: (E)-5-(4-allyloxy-3-methoxy-phenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4S/c1-3-12-27-18-10-8-15(14-19(18)26-2)13-16(9-11-21(24)25)22-23-17-6-4-5-7-20(17)28-22/h3-8,10,13-14H,1,9,11-12H2,2H3,(H,24,25)/b16-13+