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

Systemtic Name: 2-[[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]benzoate Openeye Name: 2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]benzoate CAS Name: 2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]benzoate IUPAC Name: 2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]benzoate Traditional Name: 2-[[(3S)-2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]benzoate Formula: C17H14NO3S- MolecularWeight: 312.36296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)[C@H]1SC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H15NO3S/c19-16-15(10-9-11-5-1-3-7-13(11)18-16)22-14-8-4-2-6-12(14)17(20)21/h1-8,15H,9-10H2,(H,18,19)(H,20,21)/p-1/t15-/m0/s1