N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,1-bis(oxidanylidene)thiolane-3-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,1-bis(oxidanylidene)thiolane-3-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,1-dioxo-thiolane-3-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,1-dioxo-3-thiolanecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,1-dioxothiolane-3-carboxamide Traditional Name: 1,1-diketo-N-(6-mesyl-1,3-benzothiazol-2-yl)thiolane-3-carboxamide Formula: C13H14N2O5S3 MolecularWeight: 374.45566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCS(=O)(=O)C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCS(=O)(=O)C3

InChI

InChI=1S/C13H14N2O5S3/c1-22(17,18)9-2-3-10-11(6-9)21-13(14-10)15-12(16)8-4-5-23(19,20)7-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,16)