(2-ethylpyrazol-3-yl) 8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylate

Systemtic Name: (2-ethylpyrazol-3-yl) 8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylate Openeye Name: (2-ethylpyrazol-3-yl) 8-chloro-5-methyl-4-oxo-thiochromane-6-carboxylate CAS Name: 8-chloro-5-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-6-carboxylic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) 8-chloro-5-methyl-4-oxo-2,3-dihydrothiochromene-6-carboxylate Traditional Name: 8-chloro-4-keto-5-methyl-thiochroman-6-carboxylic acid (2-ethylpyrazol-3-yl) ester Formula: C16H15ClN2O3S MolecularWeight: 350.8199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)OC(=O)C2=CC(=C3C(=C2C)C(=O)CCS3)Cl

Isomeric SMILES

CCN1C(=CC=N1)OC(=O)C2=CC(=C3C(=C2C)C(=O)CCS3)Cl

InChI

InChI=1S/C16H15ClN2O3S/c1-3-19-13(4-6-18-19)22-16(21)10-8-11(17)15-14(9(10)2)12(20)5-7-23-15/h4,6,8H,3,5,7H2,1-2H3