[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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