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

Systemtic Name: [6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 2-azanylpropanoate dihydrochloride Openeye Name: [6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl] 2-aminopropanoate dihydrochloride CAS Name: 2-aminopropanoic acid [6-ethyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-yl] ester dihydrochloride IUPAC Name: [6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] 2-aminopropanoate dihydrochloride Traditional Name: 2-aminopropionic acid [6-ethyl-4-keto-3-(4-methylthiazol-2-yl)chromen-7-yl] ester dihydrochloride Formula: C18H20Cl2N2O4S MolecularWeight: 431.3334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)C(C)N.Cl.Cl

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)C(C)N.Cl.Cl

InChI

InChI=1S/C18H18N2O4S.2ClH/c1-4-11-5-12-15(6-14(11)24-18(22)10(3)19)23-7-13(16(12)21)17-20-9(2)8-25-17;;/h5-8,10H,4,19H2,1-3H3;2*1H