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

Systemtic Name: [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] thiophene-2-carboxylate Openeye Name: [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C21H12N2O2S2 MolecularWeight: 388.46218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=CC=C3)OC(=O)C4=CC=CS4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC=CS4)/C#N

InChI

InChI=1S/C21H12N2O2S2/c22-13-15(20-23-17-7-1-2-8-18(17)27-20)11-14-5-3-6-16(12-14)25-21(24)19-9-4-10-26-19/h1-12H/b15-11+