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

Systemtic Name: [6-hexyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 2-azanylpropanoate dihydrochloride Openeye Name: [6-hexyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl] 2-aminopropanoate dihydrochloride CAS Name: 2-aminopropanoic 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] 2-aminopropanoate dihydrochloride Traditional Name: 2-aminopropionic acid [6-hexyl-4-keto-3-(4-methylthiazol-2-yl)chromen-7-yl] ester dihydrochloride Formula: C22H28Cl2N2O4S MolecularWeight: 487.43972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S.2ClH/c1-4-5-6-7-8-15-9-16-19(10-18(15)28-22(26)14(3)23)27-11-17(20(16)25)21-24-13(2)12-29-21;;/h9-12,14H,4-8,23H2,1-3H3;2*1H