methyl 6-chloranyl-2-sulfanylidene-1,3-benzothiazole-3-carboxylate

Systemtic Name: methyl 6-chloranyl-2-sulfanylidene-1,3-benzothiazole-3-carboxylate Openeye Name: methyl 6-chloro-2-thioxo-1,3-benzothiazole-3-carboxylate CAS Name: 6-chloro-2-sulfanylidene-1,3-benzothiazole-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-sulfanylidene-1,3-benzothiazole-3-carboxylate Traditional Name: 6-chloro-2-thioxo-1,3-benzothiazole-3-carboxylic acid methyl ester Formula: C9H6ClNO2S2 MolecularWeight: 259.73244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=C(C=C(C=C2)Cl)SC1=S

Isomeric SMILES

COC(=O)N1C2=C(C=C(C=C2)Cl)SC1=S

InChI

InChI=1S/C9H6ClNO2S2/c1-13-8(12)11-6-3-2-5(10)4-7(6)15-9(11)14/h2-4H,1H3