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

Systemtic Name: methyl 3-azanyl-1-[(2S)-2-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxypropanoyl]-5-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 3-amino-1-[(2S)-2-(4,7-dimethyl-2-oxo-chromen-6-yl)oxypropanoyl]-5-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 3-amino-1-[(2S)-2-[(4,7-dimethyl-2-oxo-1-benzopyran-6-yl)oxy]-1-oxopropyl]-5-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-1-[(2S)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanoyl]-5-methylsulfanylpyrazole-4-carboxylate Traditional Name: 3-amino-1-[(2S)-2-(2-keto-4,7-dimethyl-chromen-6-yl)oxypropanoyl]-5-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)O[C@@H](C)C(=O)N3C(=C(C(=N3)N)C(=O)OC)SC)C

InChI

InChI=1S/C20H21N3O6S/c1-9-7-15(24)29-14-6-10(2)13(8-12(9)14)28-11(3)18(25)23-19(30-5)16(17(21)22-23)20(26)27-4/h6-8,11H,1-5H3,(H2,21,22)/t11-/m0/s1