(E)-3-(1,3-benzothiazol-2-yl)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(cyanomethoxy)-3-methoxyphenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(cyanomethoxy)-3-methoxyphenyl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]but-3-enoate Formula: C20H15N2O4S- MolecularWeight: 379.4091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)OCC#N

InChI

InChI=1S/C20H16N2O4S/c1-25-17-11-13(6-7-16(17)26-9-8-21)10-14(12-19(23)24)20-22-15-4-2-3-5-18(15)27-20/h2-7,10-11H,9,12H2,1H3,(H,23,24)/p-1/b14-10+