[6-hexyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] pyrrolidine-2-carboxylate dihydrobromide

Systemtic Name: [6-hexyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] pyrrolidine-2-carboxylate dihydrobromide Openeye Name: [6-hexyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl] pyrrolidine-2-carboxylate dihydrobromide CAS Name: 2-pyrrolidinecarboxylic acid [6-hexyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-yl] ester dihydrobromide IUPAC Name: [6-hexyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] pyrrolidine-2-carboxylate dihydrobromide Traditional Name: pyrrolidine-2-carboxylic acid [6-hexyl-4-keto-3-(4-methylthiazol-2-yl)chromen-7-yl] ester dihydrobromide Formula: C24H30Br2N2O4S MolecularWeight: 602.379

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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)C4CCCN4.Br.Br

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)C4CCCN4.Br.Br

InChI

InChI=1S/C24H28N2O4S.2BrH/c1-3-4-5-6-8-16-11-17-21(12-20(16)30-24(28)19-9-7-10-25-19)29-13-18(22(17)27)23-26-15(2)14-31-23;;/h11-14,19,25H,3-10H2,1-2H3;2*1H