2-[2-oxidanylidene-3-(sulfanylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-(sulfanylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-(sulfanylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(mercaptomethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[2-oxo-3-(sulfanylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(mercaptomethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1CS)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1CS)CC(=O)O

InChI

InChI=1S/C13H15NO3S/c15-12(16)7-14-11-4-2-1-3-9(11)5-6-10(8-18)13(14)17/h1-4,10,18H,5-8H2,(H,15,16)