[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C17H23NO3S/c1-12-5-4-8-18(10-12)16(19)11-21-17(20)15-9-13-6-2-3-7-14(13)22-15/h9,12H,2-8,10-11H2,1H3