2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoic acid

Systemtic Name: 2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoic acid Openeye Name: 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoic acid CAS Name: 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoic acid IUPAC Name: 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoic acid Traditional Name: 2-(4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)propionic acid Formula: C18H17NO3S MolecularWeight: 327.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)CC(SC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)N1C(=O)CC(SC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO3S/c1-12(18(21)22)19-14-9-5-6-10-15(14)23-16(11-17(19)20)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3,(H,21,22)