S-(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl) 5-methyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carbothioate

Systemtic Name: S-(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl) 5-methyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carbothioate Openeye Name: S-(2-ethyl-3-oxo-1H-pyrazol-4-yl) 5-methyl-4-oxo-thiochromane-6-carbothioate CAS Name: 5-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-6-carbothioic acid S-(2-ethyl-3-oxo-1H-pyrazol-4-yl) ester IUPAC Name: S-(2-ethyl-3-oxo-1H-pyrazol-4-yl) 5-methyl-4-oxo-2,3-dihydrothiochromene-6-carbothioate Traditional Name: 4-keto-5-methyl-thiochroman-6-carbothioic acid S-(1-ethyl-5-keto-3-pyrazolin-4-yl) ester Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)SC(=O)C2=C(C3=C(C=C2)SCCC3=O)C

Isomeric SMILES

CCN1C(=O)C(=CN1)SC(=O)C2=C(C3=C(C=C2)SCCC3=O)C

InChI

InChI=1S/C16H16N2O3S2/c1-3-18-15(20)13(8-17-18)23-16(21)10-4-5-12-14(9(10)2)11(19)6-7-22-12/h4-5,8,17H,3,6-7H2,1-2H3