dimethyl 3-[4-[(4-ethoxy-4-oxidanylidene-butyl)carbamothioylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(4-ethoxy-4-oxidanylidene-butyl)carbamothioylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(4-ethoxy-4-oxo-butyl)carbamothioylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[[(4-ethoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(4-ethoxy-4-oxobutyl)carbamothioylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(4-ethoxy-4-keto-butyl)thiocarbamoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H26N4O6S MolecularWeight: 414.47654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C17H26N4O6S/c1-4-27-14(22)6-5-7-18-17(28)20-12-10-19-21(11-12)13(8-15(23)25-2)9-16(24)26-3/h10-11,13H,4-9H2,1-3H3,(H2,18,20,28)