2-[(2S)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[(2S)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[(2S)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[(2S)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[(2S)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1[C@H](SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H15NO3S/c19-16-10-15(12-6-2-1-3-7-12)22-14-9-5-4-8-13(14)18(16)11-17(20)21/h1-9,15H,10-11H2,(H,20,21)/t15-/m0/s1