methyl 2-[[1-(4-cyanobutyl)pyrazol-4-yl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[1-(4-cyanobutyl)pyrazol-4-yl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[1-(4-cyanobutyl)pyrazol-4-yl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[[1-(4-cyanobutyl)-4-pyrazolyl]amino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-cyanobutyl)pyrazol-4-yl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[1-(4-cyanobutyl)pyrazol-4-yl]carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C15H23N5O3S MolecularWeight: 353.43982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CN(N=C1)CCCCC#N

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NC1=CN(N=C1)CCCCC#N

InChI

InChI=1S/C15H23N5O3S/c1-23-14(21)13(6-9-24-2)19-15(22)18-12-10-17-20(11-12)8-5-3-4-7-16/h10-11,13H,3-6,8-9H2,1-2H3,(H2,18,19,22)