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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-prop-2-enoxyphenyl)pent-4-enoic acid Openeye Name: (E)-5-(3-allyloxyphenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-prop-2-enoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-prop-2-enoxyphenyl)pent-4-enoic acid Traditional Name: (E)-5-(3-allyloxyphenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C=CCOC1=CC=CC(=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H19NO3S/c1-2-12-25-17-7-5-6-15(14-17)13-16(10-11-20(23)24)21-22-18-8-3-4-9-19(18)26-21/h2-9,13-14H,1,10-12H2,(H,23,24)/b16-13+