8-chloranyl-4-ethylsulfanyl-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid

Systemtic Name: 8-chloranyl-4-ethylsulfanyl-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid Openeye Name: 8-chloro-4-ethylsulfanyl-5-methyl-thiochromane-6-carboxylic acid CAS Name: 8-chloro-4-(ethylthio)-5-methyl-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 8-chloro-4-ethylsulfanyl-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid Traditional Name: 8-chloro-4-(ethylthio)-5-methyl-thiochroman-6-carboxylic acid Formula: C13H15ClO2S2 MolecularWeight: 302.84

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1CCSC2=C(C=C(C(=C12)C)C(=O)O)Cl

Isomeric SMILES

CCSC1CCSC2=C(C=C(C(=C12)C)C(=O)O)Cl

InChI

InChI=1S/C13H15ClO2S2/c1-3-17-10-4-5-18-12-9(14)6-8(13(15)16)7(2)11(10)12/h6,10H,3-5H2,1-2H3,(H,15,16)