4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonic acid

Systemtic Name: 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonic acid Openeye Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonic acid CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonic acid IUPAC Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonic acid Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonic acid Formula: C9H9NO4S2 MolecularWeight: 259.30206

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)O)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)O)NC1=O

InChI

InChI=1S/C9H9NO4S2/c11-9-3-4-15-8-2-1-6(16(12,13)14)5-7(8)10-9/h1-2,5H,3-4H2,(H,10,11)(H,12,13,14)