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

Systemtic Name: 3-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonylamino]propanoic acid Openeye Name: 3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonylamino]propanoic acid CAS Name: 3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonylamino]propanoic acid IUPAC Name: 3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonylamino]propanoic acid Traditional Name: 3-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonylamino]propionic acid Formula: C12H14N2O5S2 MolecularWeight: 330.37996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S2/c15-11-4-6-20-10-7-8(1-2-9(10)14-11)21(18,19)13-5-3-12(16)17/h1-2,7,13H,3-6H2,(H,14,15)(H,16,17)