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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-methoxycarbonylphenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-methoxycarbonylphenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-methoxycarbonylphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-methoxycarbonylphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-carbomethoxyphenyl)pent-4-enoic acid Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO4S/c1-25-20(24)15-7-3-2-6-13(15)12-14(10-11-18(22)23)19-21-16-8-4-5-9-17(16)26-19/h2-9,12H,10-11H2,1H3,(H,22,23)/b14-12+