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

Systemtic Name: 2-[[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]acetate CAS Name: 2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]acetate IUPAC Name: 2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]acetate Traditional Name: 2-[[(3S)-2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]acetate Formula: C12H12NO3S- MolecularWeight: 250.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c14-11(15)7-17-10-6-5-8-3-1-2-4-9(8)13-12(10)16/h1-4,10H,5-7H2,(H,13,16)(H,14,15)/p-1/t10-/m0/s1