O-methyl N-[(Z)-[5-ethyl-2-(oxan-2-yl)-4-oxidanylidene-pyrazol-3-ylidene]-oxidanyl-methyl]carbamothioate

Systemtic Name: O-methyl N-[(Z)-[5-ethyl-2-(oxan-2-yl)-4-oxidanylidene-pyrazol-3-ylidene]-oxidanyl-methyl]carbamothioate Openeye Name: O-methyl N-[(Z)-(5-ethyl-4-oxo-2-tetrahydropyran-2-yl-pyrazol-3-ylidene)-hydroxy-methyl]carbamothioate CAS Name: N-[(Z)-[5-ethyl-2-(2-oxanyl)-4-oxo-3-pyrazolylidene]-hydroxymethyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[(Z)-[5-ethyl-2-(oxan-2-yl)-4-oxopyrazol-3-ylidene]-hydroxymethyl]carbamothioate Traditional Name: N-[(Z)-(5-ethyl-4-keto-2-tetrahydropyran-2-yl-2-pyrazolin-3-ylidene)-hydroxy-methyl]thiocarbamic acid O-methyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C(NC(=S)OC)O)C1=O)C2CCCCO2

Isomeric SMILES

CCC1=NN(/C(=C(/NC(=S)OC)\O)/C1=O)C2CCCCO2

InChI

InChI=1S/C13H19N3O4S/c1-3-8-11(17)10(12(18)14-13(21)19-2)16(15-8)9-6-4-5-7-20-9/h9,18H,3-7H2,1-2H3,(H,14,21)/b12-10-