dimethyl 3-[4-[(2-sulfanylidene-1,3-thiazolidin-4-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-sulfanylidene-1,3-thiazolidin-4-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-thioxothiazolidine-4-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[oxo-(2-sulfanylidene-4-thiazolidinyl)methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-sulfanylidene-1,3-thiazolidine-4-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2-thioxothiazolidine-4-carbonyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C14H18N4O5S2 MolecularWeight: 386.44652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2CSC(=S)N2

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2CSC(=S)N2

InChI

InChI=1S/C14H18N4O5S2/c1-22-11(19)3-9(4-12(20)23-2)18-6-8(5-15-18)16-13(21)10-7-25-14(24)17-10/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,21)(H,17,24)