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

Systemtic Name: 4-chloranyl-2-(propan-2-ylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: 4-chloro-2-(isopropylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 4-chloro-2-[(propan-2-ylthio)methyl]-1,3-benzothiazole-6-carboxylate IUPAC Name: 4-chloro-2-(propan-2-ylsulfanylmethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 4-chloro-2-[(isopropylthio)methyl]-1,3-benzothiazole-6-carboxylate Formula: C12H11ClNO2S2- MolecularWeight: 300.80424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NC2=C(S1)C=C(C=C2Cl)C(=O)[O-]

Isomeric SMILES

CC(C)SCC1=NC2=C(S1)C=C(C=C2Cl)C(=O)[O-]

InChI

InChI=1S/C12H12ClNO2S2/c1-6(2)17-5-10-14-11-8(13)3-7(12(15)16)4-9(11)18-10/h3-4,6H,5H2,1-2H3,(H,15,16)/p-1