methyl 3-azanyl-1-[2-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxyethanoyl]-5-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: methyl 3-azanyl-1-[2-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxyethanoyl]-5-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 3-amino-1-[2-(4,7-dimethyl-2-oxo-chromen-6-yl)oxyacetyl]-5-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 3-amino-1-[2-[(4,7-dimethyl-2-oxo-1-benzopyran-6-yl)oxy]-1-oxoethyl]-5-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-1-[2-(4,7-dimethyl-2-oxochromen-6-yl)oxyacetyl]-5-methylsulfanylpyrazole-4-carboxylate Traditional Name: 3-amino-1-[2-(2-keto-4,7-dimethyl-chromen-6-yl)oxyacetyl]-5-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)N3C(=C(C(=N3)N)C(=O)OC)SC)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)N3C(=C(C(=N3)N)C(=O)OC)SC)C

InChI

InChI=1S/C19H19N3O6S/c1-9-6-15(24)28-13-5-10(2)12(7-11(9)13)27-8-14(23)22-18(29-4)16(17(20)21-22)19(25)26-3/h5-7H,8H2,1-4H3,(H2,20,21)