methyl 7-chloranyl-3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxylate

Systemtic Name: methyl 7-chloranyl-3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxylate Openeye Name: methyl 7-chloro-3-oxido-1,3-benzothiazol-3-ium-2-carboxylate CAS Name: 7-chloro-3-oxido-1,3-benzothiazol-3-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-3-oxido-1,3-benzothiazol-3-ium-2-carboxylate Traditional Name: 7-chloro-3-oxido-1,3-benzothiazol-3-ium-2-carboxylic acid methyl ester Formula: C9H6ClNO3S MolecularWeight: 243.66684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](C2=C(S1)C(=CC=C2)Cl)[O-]

Isomeric SMILES

COC(=O)C1=[N+](C2=C(S1)C(=CC=C2)Cl)[O-]

InChI

InChI=1S/C9H6ClNO3S/c1-14-9(12)8-11(13)6-4-2-3-5(10)7(6)15-8/h2-4H,1H3