(E)-5-(1,3-benzothiazol-2-yl)-6-(3-methoxyphenyl)hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methoxyphenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methoxyphenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methoxyphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methoxyphenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methoxyphenyl)hex-5-enoic acid Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3S/c1-24-16-8-4-6-14(13-16)12-15(7-5-11-19(22)23)20-21-17-9-2-3-10-18(17)25-20/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,22,23)/b15-12+