methyl 2-[2-(8-methyl-4-oxidanylidene-chromeno[4,3-c]pyrazol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-(8-methyl-4-oxidanylidene-chromeno[4,3-c]pyrazol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(8-methyl-4-oxo-chromeno[4,3-c]pyrazol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-(8-methyl-4-oxo-1-[1]benzopyrano[4,3-c]pyrazolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(8-methyl-4-oxochromeno[4,3-c]pyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(4-keto-8-methyl-chromeno[4,3-c]pyrazol-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C19H21N3O5S/c1-11-4-5-15-12(8-11)17-13(18(24)27-15)9-20-22(17)10-16(23)21-14(6-7-28-3)19(25)26-2/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,21,23)