dimethyl 3-[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[1-carbomethoxy-3-(methylthio)propyl]carbamoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H26N4O7S MolecularWeight: 430.47594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C17H26N4O7S/c1-26-14(22)7-12(8-15(23)27-2)21-10-11(9-18-21)19-17(25)20-13(5-6-29-4)16(24)28-3/h9-10,12-13H,5-8H2,1-4H3,(H2,19,20,25)