4-chloranyl-2-(ethylsulfanylmethyl)-7-methoxy-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 4-chloranyl-2-(ethylsulfanylmethyl)-7-methoxy-1,3-benzothiazole-6-carboxylic acid Openeye Name: 4-chloro-2-(ethylsulfanylmethyl)-7-methoxy-1,3-benzothiazole-6-carboxylic acid CAS Name: 4-chloro-2-[(ethylthio)methyl]-7-methoxy-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 4-chloro-2-(ethylsulfanylmethyl)-7-methoxy-1,3-benzothiazole-6-carboxylic acid Traditional Name: 4-chloro-2-[(ethylthio)methyl]-7-methoxy-1,3-benzothiazole-6-carboxylic acid Formula: C12H12ClNO3S2 MolecularWeight: 317.81158

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=NC2=C(C=C(C(=C2S1)OC)C(=O)O)Cl

Isomeric SMILES

CCSCC1=NC2=C(C=C(C(=C2S1)OC)C(=O)O)Cl

InChI

InChI=1S/C12H12ClNO3S2/c1-3-18-5-8-14-9-7(13)4-6(12(15)16)10(17-2)11(9)19-8/h4H,3,5H2,1-2H3,(H,15,16)