[5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3-dihydro-1H-thiopyrano[2,3-c]chromen-10-yl] 4-morpholin-4-ylbutanoate hydrochloride

Systemtic Name: [5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3-dihydro-1H-thiopyrano[2,3-c]chromen-10-yl] 4-morpholin-4-ylbutanoate hydrochloride Openeye Name: [8-(1,2-dimethylheptyl)-5,5-dimethyl-2,3-dihydro-1H-thiopyrano[2,3-c]chromen-10-yl] 4-morpholinobutanoate hydrochloride CAS Name: 4-(4-morpholinyl)butanoic acid [5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3-dihydro-1H-thiopyrano[2,3-c][1]benzopyran-10-yl] ester hydrochloride IUPAC Name: [5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3-dihydro-1H-thiopyrano[2,3-c]chromen-10-yl] 4-morpholin-4-ylbutanoate hydrochloride Traditional Name: 4-morpholinobutyric acid [8-(1,2-dimethylheptyl)-5,5-dimethyl-2,3-dihydro-1H-thiopyrano[2,3-c]chromen-10-yl] ester hydrochloride Formula: C31H48ClNO4S MolecularWeight: 566.23512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)C1=CC2=C(C3=C(C(O2)(C)C)SCCC3)C(=C1)OC(=O)CCCN4CCOCC4.Cl

Isomeric SMILES

CCCCCC(C)C(C)C1=CC2=C(C3=C(C(O2)(C)C)SCCC3)C(=C1)OC(=O)CCCN4CCOCC4.Cl

InChI

InChI=1S/C31H47NO4S.ClH/c1-6-7-8-11-22(2)23(3)24-20-26(35-28(33)13-9-14-32-15-17-34-18-16-32)29-25-12-10-19-37-30(25)31(4,5)36-27(29)21-24;/h20-23H,6-19H2,1-5H3;1H