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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H12N2O3S2 MolecularWeight: 344.40808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C=C(S3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C=C(S3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H12N2O3S2/c17-6-3-7-18-14(19)9-21-16(20)13-8-12-15(23-13)10-4-1-2-5-11(10)22-12/h1-2,4-5,8H,3,7,9H2,(H,18,19)