methyl 2-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[[1-[(2,3-dimethoxyphenyl)methyl]-4-pyrazolyl]amino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[(1-o-veratrylpyrazol-4-yl)carbamoylamino]butyric acid methyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C19H26N4O5S/c1-26-16-7-5-6-13(17(16)27-2)11-23-12-14(10-20-23)21-19(25)22-15(8-9-29-4)18(24)28-3/h5-7,10,12,15H,8-9,11H2,1-4H3,(H2,21,22,25)