[2-(1,3-benzothiazol-2-yl)phenyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C22H17NO2S2 MolecularWeight: 391.50588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17NO2S2/c24-22(20-13-14-7-1-5-11-18(14)26-20)25-17-10-4-2-8-15(17)21-23-16-9-3-6-12-19(16)27-21/h2-4,6,8-10,12-13H,1,5,7,11H2