dimethyl 3-[4-[2-(1-thiophen-2-ylethylideneamino)oxyethanoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[2-(1-thiophen-2-ylethylideneamino)oxyethanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[[2-[1-(2-thienyl)ethylideneamino]oxyacetyl]amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[1-oxo-2-(1-thiophen-2-ylethylideneamino)oxyethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[2-[1-(2-thienyl)ethylideneamino]oxyacetyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC(=O)NC1=CN(N=C1)C(CC(=O)OC)CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CC(=NOCC(=O)NC1=CN(N=C1)C(CC(=O)OC)CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C18H22N4O6S/c1-12(15-5-4-6-29-15)21-28-11-16(23)20-13-9-19-22(10-13)14(7-17(24)26-2)8-18(25)27-3/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,20,23)