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

Systemtic Name: 3-[[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]propanoic acid IUPAC Name: 3-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[(3S)-2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]propionic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)[C@H]1SCCC(=O)O

InChI

InChI=1S/C13H15NO3S/c15-12(16)7-8-18-11-6-5-9-3-1-2-4-10(9)14-13(11)17/h1-4,11H,5-8H2,(H,14,17)(H,15,16)/t11-/m0/s1