4-chloranyl-2-(propylsulfanylmethyl)-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 4-chloranyl-2-(propylsulfanylmethyl)-1,3-benzothiazole-6-carboxylic acid Openeye Name: 4-chloro-2-(propylsulfanylmethyl)-1,3-benzothiazole-6-carboxylic acid CAS Name: 4-chloro-2-[(propylthio)methyl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 4-chloro-2-(propylsulfanylmethyl)-1,3-benzothiazole-6-carboxylic acid Traditional Name: 4-chloro-2-[(propylthio)methyl]-1,3-benzothiazole-6-carboxylic acid Formula: C12H12ClNO2S2 MolecularWeight: 301.81218

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=NC2=C(S1)C=C(C=C2Cl)C(=O)O

Isomeric SMILES

CCCSCC1=NC2=C(S1)C=C(C=C2Cl)C(=O)O

InChI

InChI=1S/C12H12ClNO2S2/c1-2-3-17-6-10-14-11-8(13)4-7(12(15)16)5-9(11)18-10/h4-5H,2-3,6H2,1H3,(H,15,16)