methyl 4-methylsulfanyl-2-[2-(4-oxidanylidenechromeno[4,3-c]pyrazol-1-yl)ethanoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2-(4-oxidanylidenechromeno[4,3-c]pyrazol-1-yl)ethanoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(4-oxochromeno[4,3-c]pyrazol-1-yl)acetyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-(4-oxo-1-[1]benzopyrano[4,3-c]pyrazolyl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-(4-oxochromeno[4,3-c]pyrazol-1-yl)acetyl]amino]butanoate Traditional Name: 2-[[2-(4-ketochromeno[4,3-c]pyrazol-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN1C2=C(C=N1)C(=O)OC3=CC=CC=C32

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)CN1C2=C(C=N1)C(=O)OC3=CC=CC=C32

InChI

InChI=1S/C18H19N3O5S/c1-25-18(24)13(7-8-27-2)20-15(22)10-21-16-11-5-3-4-6-14(11)26-17(23)12(16)9-19-21/h3-6,9,13H,7-8,10H2,1-2H3,(H,20,22)