[6-hexyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 6-azanylhexanoate dihydrochloride

Systemtic Name: [6-hexyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 6-azanylhexanoate dihydrochloride Openeye Name: [6-hexyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl] 6-aminohexanoate dihydrochloride CAS Name: 6-aminohexanoic acid [6-hexyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-yl] ester dihydrochloride IUPAC Name: [6-hexyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] 6-aminohexanoate dihydrochloride Traditional Name: 6-aminohexanoic acid [6-hexyl-4-keto-3-(4-methylthiazol-2-yl)chromen-7-yl] ester dihydrochloride Formula: C25H34Cl2N2O4S MolecularWeight: 529.51946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)CCCCCN.Cl.Cl

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)CCCCCN.Cl.Cl

InChI

InChI=1S/C25H32N2O4S.2ClH/c1-3-4-5-7-10-18-13-19-22(14-21(18)31-23(28)11-8-6-9-12-26)30-15-20(24(19)29)25-27-17(2)16-32-25;;/h13-16H,3-12,26H2,1-2H3;2*1H