2-[(1-butylpiperidin-4-yl)methyl]-4-oxidanyl-3,4-dihydro-2H-thiochromene-8-carboxylate

Systemtic Name: 2-[(1-butylpiperidin-4-yl)methyl]-4-oxidanyl-3,4-dihydro-2H-thiochromene-8-carboxylate Openeye Name: 2-[(1-butyl-4-piperidyl)methyl]-4-hydroxy-thiochromane-8-carboxylate CAS Name: 2-[(1-butyl-4-piperidinyl)methyl]-4-hydroxy-3,4-dihydro-2H-1-benzothiopyran-8-carboxylate IUPAC Name: 2-[(1-butylpiperidin-4-yl)methyl]-4-hydroxy-3,4-dihydro-2H-thiochromene-8-carboxylate Traditional Name: 2-[(1-butyl-4-piperidyl)methyl]-4-hydroxy-thiochroman-8-carboxylate Formula: C20H28NO3S- MolecularWeight: 362.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)CC2CC(C3=CC=CC(=C3S2)C(=O)[O-])O

Isomeric SMILES

CCCCN1CCC(CC1)CC2CC(C3=CC=CC(=C3S2)C(=O)[O-])O

InChI

InChI=1S/C20H29NO3S/c1-2-3-9-21-10-7-14(8-11-21)12-15-13-18(22)16-5-4-6-17(20(23)24)19(16)25-15/h4-6,14-15,18,22H,2-3,7-13H2,1H3,(H,23,24)/p-1