[8-(3-methyloctan-2-yl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 2-methyl-4-piperidin-1-yl-butanoate hydrochloride

Systemtic Name: [8-(3-methyloctan-2-yl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 2-methyl-4-piperidin-1-yl-butanoate hydrochloride Openeye Name: [8-(1,2-dimethylheptyl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 2-methyl-4-(1-piperidyl)butanoate hydrochloride CAS Name: 2-methyl-4-(1-piperidinyl)butanoic acid [8-(3-methyloctan-2-yl)-5,5-bis(methylthio)-2,3-dihydro-1H-pyrano[2,3-c][1]benzopyran-10-yl] ester hydrochloride IUPAC Name: [8-(3-methyloctan-2-yl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 2-methyl-4-piperidin-1-ylbutanoate hydrochloride Traditional Name: 2-methyl-4-piperidino-butyric acid [8-(1,2-dimethylheptyl)-5,5-bis(methylthio)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] ester hydrochloride Formula: C33H52ClNO4S2 MolecularWeight: 626.35328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)C1=CC2=C(C3=C(C(O2)(SC)SC)OCCC3)C(=C1)OC(=O)C(C)CCN4CCCCC4.Cl

Isomeric SMILES

CCCCCC(C)C(C)C1=CC2=C(C3=C(C(O2)(SC)SC)OCCC3)C(=C1)OC(=O)C(C)CCN4CCCCC4.Cl

InChI

InChI=1S/C33H51NO4S2.ClH/c1-7-8-10-14-23(2)25(4)26-21-28(37-32(35)24(3)16-19-34-17-11-9-12-18-34)30-27-15-13-20-36-31(27)33(39-5,40-6)38-29(30)22-26;/h21-25H,7-20H2,1-6H3;1H