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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)O

InChI

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