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

Systemtic Name: 2-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-thiochromene-8-carboxylate Openeye Name: 2-[(1-butyl-4-piperidyl)methyl]thiochromane-8-carboxylate CAS Name: 2-[(1-butyl-4-piperidinyl)methyl]-3,4-dihydro-2H-1-benzothiopyran-8-carboxylate IUPAC Name: 2-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-thiochromene-8-carboxylate Traditional Name: 2-[(1-butyl-4-piperidyl)methyl]thiochroman-8-carboxylate Formula: C20H28NO2S- MolecularWeight: 346.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)CC2CCC3=CC=CC(=C3S2)C(=O)[O-]

Isomeric SMILES

CCCCN1CCC(CC1)CC2CCC3=CC=CC(=C3S2)C(=O)[O-]

InChI

InChI=1S/C20H29NO2S/c1-2-3-11-21-12-9-15(10-13-21)14-17-8-7-16-5-4-6-18(20(22)23)19(16)24-17/h4-6,15,17H,2-3,7-14H2,1H3,(H,22,23)/p-1