(2-ethylpyrazol-3-yl) 4-chloranyl-3,3,5-trimethyl-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylate

Systemtic Name: (2-ethylpyrazol-3-yl) 4-chloranyl-3,3,5-trimethyl-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylate Openeye Name: (2-ethylpyrazol-3-yl) 4-chloro-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylate CAS Name: 4-chloro-3,3,5-trimethyl-1,1-dioxo-2,4-dihydro-1-benzothiopyran-6-carboxylic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) 4-chloro-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylate Traditional Name: 4-chloro-1,1-diketo-3,3,5-trimethyl-2,4-dihydrothiochromene-6-carboxylic acid (2-ethylpyrazol-3-yl) ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)OC(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC(C3Cl)(C)C)C

Isomeric SMILES

CCN1C(=CC=N1)OC(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC(C3Cl)(C)C)C

InChI

InChI=1S/C18H21ClN2O4S/c1-5-21-14(8-9-20-21)25-17(22)12-6-7-13-15(11(12)2)16(19)18(3,4)10-26(13,23)24/h6-9,16H,5,10H2,1-4H3