(2-ethylpyrazol-3-yl) 8-chloranyl-4-ethylsulfanyl-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylate

Systemtic Name: (2-ethylpyrazol-3-yl) 8-chloranyl-4-ethylsulfanyl-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylate Openeye Name: (2-ethylpyrazol-3-yl) 8-chloro-4-ethylsulfanyl-5-methyl-thiochromane-6-carboxylate CAS Name: 8-chloro-4-(ethylthio)-5-methyl-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) 8-chloro-4-ethylsulfanyl-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylate Traditional Name: 8-chloro-4-(ethylthio)-5-methyl-thiochroman-6-carboxylic acid (2-ethylpyrazol-3-yl) ester Formula: C18H21ClN2O2S2 MolecularWeight: 396.95454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2S2/c1-4-21-15(6-8-20-21)23-18(22)12-10-13(19)17-16(11(12)3)14(24-5-2)7-9-25-17/h6,8,10,14H,4-5,7,9H2,1-3H3