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

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C21H12N2O3S MolecularWeight: 372.39658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=CO4)/C#N

InChI

InChI=1S/C21H12N2O3S/c22-13-15(20-23-17-4-1-2-6-19(17)27-20)12-14-7-9-16(10-8-14)26-21(24)18-5-3-11-25-18/h1-12H/b15-12+