3-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanoic acid

Systemtic Name: 3-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanoic acid Openeye Name: 3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanoic acid CAS Name: 3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanoic acid IUPAC Name: 3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanoic acid Traditional Name: 3-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butyric acid Formula: C13H15NO5S2 MolecularWeight: 329.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CC(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C13H15NO5S2/c1-8(6-13(16)17)21(18,19)9-2-3-11-10(7-9)14-12(15)4-5-20-11/h2-3,7-8H,4-6H2,1H3,(H,14,15)(H,16,17)