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

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl] ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S2/c22-13-21(9-5-1-2-6-10-21)23-18(24)12-26-20(25)17-11-16-19(28-17)14-7-3-4-8-15(14)27-16/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H,23,24)