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

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C24H16N2O2S MolecularWeight: 396.46104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H16N2O2S/c1-16-6-10-18(11-7-16)24(27)28-20-12-8-17(9-13-20)14-19(15-25)23-26-21-4-2-3-5-22(21)29-23/h2-14H,1H3/b19-14+