[2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3)C(=O)N

InChI

InChI=1S/C19H18N2O4S2/c20-18(23)11-4-3-7-21(9-11)16(22)10-25-19(24)15-8-14-17(27-15)12-5-1-2-6-13(12)26-14/h1-2,5-6,8,11H,3-4,7,9-10H2,(H2,20,23)/t11-/m0/s1