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

Systemtic Name: methyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]amino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(1-homoveratrylpyrazol-4-yl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)NC(CCSC)C(=O)OC)OC

InChI

InChI=1S/C20H28N4O5S/c1-27-17-6-5-14(11-18(17)28-2)7-9-24-13-15(12-21-24)22-20(26)23-16(8-10-30-4)19(25)29-3/h5-6,11-13,16H,7-10H2,1-4H3,(H2,22,23,26)