(E)-3-(1,3-benzothiazol-2-yl)-4-(2-methoxycarbonylfuran-3-yl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-methoxycarbonylfuran-3-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-methoxycarbonyl-3-furyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-methoxycarbonyl-3-furanyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-methoxycarbonylfuran-3-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-carbomethoxy-3-furyl)but-3-enoate Formula: C17H12NO5S- MolecularWeight: 342.34588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=C(C=CO1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13NO5S/c1-22-17(21)15-10(6-7-23-15)8-11(9-14(19)20)16-18-12-4-2-3-5-13(12)24-16/h2-8H,9H2,1H3,(H,19,20)/p-1/b11-8+