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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-methoxycarbonylfuran-3-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-methoxycarbonyl-3-furyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-methoxycarbonyl-3-furanyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-methoxycarbonylfuran-3-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-carbomethoxy-3-furyl)pent-4-enoic acid Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=C(C=CO1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15NO5S/c1-23-18(22)16-11(8-9-24-16)10-12(6-7-15(20)21)17-19-13-4-2-3-5-14(13)25-17/h2-5,8-10H,6-7H2,1H3,(H,20,21)/b12-10+