methyl 3-chloranyl-1,1-bis(oxidanylidene)-1,2-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-chloranyl-1,1-bis(oxidanylidene)-1,2-benzothiazole-6-carboxylate Openeye Name: methyl 3-chloro-1,1-dioxo-1,2-benzothiazole-6-carboxylate CAS Name: 3-chloro-1,1-dioxo-1,2-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-1,1-dioxo-1,2-benzothiazole-6-carboxylate Traditional Name: 3-chloro-1,1-diketo-1,2-benzothiazole-6-carboxylic acid methyl ester Formula: C9H6ClNO4S MolecularWeight: 259.66624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=NS2(=O)=O)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=NS2(=O)=O)Cl

InChI

InChI=1S/C9H6ClNO4S/c1-15-9(12)5-2-3-6-7(4-5)16(13,14)11-8(6)10/h2-4H,1H3