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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

InChI

InChI=1S/C19H16N2O3S2/c20-11-19(7-3-4-8-19)21-16(22)10-24-18(23)15-9-14-17(26-15)12-5-1-2-6-13(12)25-14/h1-2,5-6,9H,3-4,7-8,10H2,(H,21,22)