[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C18H21NO3S/c1-12-6-5-9-19(10-12)16(20)11-22-18(21)17-13(2)14-7-3-4-8-15(14)23-17/h3-4,7-8,12H,5-6,9-11H2,1-2H3/t12-/m0/s1