4-chloranyl-2-(2-propan-2-ylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: 4-chloranyl-2-(2-propan-2-ylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: 4-chloro-2-(2-isopropylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 4-chloro-2-[2-(propan-2-ylthio)ethyl]-1,3-benzothiazole-6-carboxylate IUPAC Name: 4-chloro-2-(2-propan-2-ylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 4-chloro-2-[2-(isopropylthio)ethyl]-1,3-benzothiazole-6-carboxylate Formula: C13H13ClNO2S2- MolecularWeight: 314.83082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCC1=NC2=C(S1)C=C(C=C2Cl)C(=O)[O-]

Isomeric SMILES

CC(C)SCCC1=NC2=C(S1)C=C(C=C2Cl)C(=O)[O-]

InChI

InChI=1S/C13H14ClNO2S2/c1-7(2)18-4-3-11-15-12-9(14)5-8(13(16)17)6-10(12)19-11/h5-7H,3-4H2,1-2H3,(H,16,17)/p-1