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

Systemtic Name: [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] 4-chloranylbenzoate Openeye Name: [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] ester IUPAC Name: [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C23H13ClN2O2S MolecularWeight: 416.87952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H13ClN2O2S/c24-18-10-8-16(9-11-18)23(27)28-19-5-3-4-15(13-19)12-17(14-25)22-26-20-6-1-2-7-21(20)29-22/h1-13H/b17-12+