2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methyl-benzenecarbothioic S-acid

Systemtic Name: 2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methyl-benzenecarbothioic S-acid Openeye Name: 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methyl-benzenecarbothioic S-acid CAS Name: 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylbenzenecarbothioic S-acid IUPAC Name: 2-chloro-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylbenzenecarbothioic S-acid Traditional Name: 2-chloro-3-(2-isoxazolin-3-yl)-4-methyl-thiobenzoic acid Formula: C11H10ClNO2S MolecularWeight: 255.7206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)S)Cl)C2=NOCC2

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)S)Cl)C2=NOCC2

InChI

InChI=1S/C11H10ClNO2S/c1-6-2-3-7(11(14)16)10(12)9(6)8-4-5-15-13-8/h2-3H,4-5H2,1H3,(H,14,16)