(2S)-2-[[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]propanoate

Systemtic Name: (2S)-2-[[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]propanoate IUPAC Name: (2S)-2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[(3S)-2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]propionate Formula: C13H14NO3S- MolecularWeight: 264.32016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1CCC2=CC=CC=C2NC1=O

Isomeric SMILES

C[C@@H](C(=O)[O-])S[C@H]1CCC2=CC=CC=C2NC1=O

InChI

InChI=1S/C13H15NO3S/c1-8(13(16)17)18-11-7-6-9-4-2-3-5-10(9)14-12(11)15/h2-5,8,11H,6-7H2,1H3,(H,14,15)(H,16,17)/p-1/t8-,11-/m0/s1