[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C21H15NO4S2 MolecularWeight: 409.4781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

InChI

InChI=1S/C21H15NO4S2/c1-12(23)22-14-8-6-13(7-9-14)16(24)11-26-21(25)19-10-18-20(28-19)15-4-2-3-5-17(15)27-18/h2-10H,11H2,1H3,(H,22,23)