(E)-3-(1,3-benzothiazol-2-yl)-4-[5-(4-methoxycarbonylphenyl)furan-2-yl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(4-methoxycarbonylphenyl)furan-2-yl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(4-methoxycarbonylphenyl)-2-furyl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(4-methoxycarbonylphenyl)-2-furanyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(4-methoxycarbonylphenyl)furan-2-yl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(4-carbomethoxyphenyl)-2-furyl]but-3-enoate Formula: C23H16NO5S- MolecularWeight: 418.44184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(CC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\CC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H17NO5S/c1-28-23(27)15-8-6-14(7-9-15)19-11-10-17(29-19)12-16(13-21(25)26)22-24-18-4-2-3-5-20(18)30-22/h2-12H,13H2,1H3,(H,25,26)/p-1/b16-12+