3-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]propanoic acid

Systemtic Name: 3-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]propanoic acid Openeye Name: 3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]propanoic acid CAS Name: 3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]propanoic acid IUPAC Name: 3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]propanoic acid Traditional Name: 3-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]propionic acid Formula: C12H13NO5S2 MolecularWeight: 315.36532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S2/c14-11-3-5-19-10-7-8(1-2-9(10)13-11)20(17,18)6-4-12(15)16/h1-2,7H,3-6H2,(H,13,14)(H,15,16)