[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C23H15N3O3S MolecularWeight: 413.4485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=NC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H15N3O3S/c1-28-20-13-15(6-7-19(20)29-23(27)16-8-10-25-11-9-16)12-17(14-24)22-26-18-4-2-3-5-21(18)30-22/h2-13H,1H3/b17-12+