(E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxycarbonylphenyl)hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxycarbonylphenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxycarbonylphenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxycarbonylphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxycarbonylphenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-carbomethoxyphenyl)hex-5-enoic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4S/c1-26-21(25)15-11-9-14(10-12-15)13-16(5-4-8-19(23)24)20-22-17-6-2-3-7-18(17)27-20/h2-3,6-7,9-13H,4-5,8H2,1H3,(H,23,24)/b16-13+