[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] thiophene-3-carboxylate

Systemtic Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] thiophene-3-carboxylate Openeye Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CSC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)C2=CSC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N2O3S2/c22-17(11-24-19(23)14-7-9-25-12-14)21-8-3-4-13(10-21)18-20-15-5-1-2-6-16(15)26-18/h1-2,5-7,9,12-13H,3-4,8,10-11H2/t13-/m0/s1