6-oxidanylidene-7-(phenylmethoxycarbonylamino)-1,2,5-dithiazocane-4-carboxylic acid

Systemtic Name: 6-oxidanylidene-7-(phenylmethoxycarbonylamino)-1,2,5-dithiazocane-4-carboxylic acid Openeye Name: 7-(benzyloxycarbonylamino)-6-oxo-1,2,5-dithiazocane-4-carboxylic acid CAS Name: 6-oxo-7-(phenylmethoxycarbonylamino)-1,2,5-dithiazocane-4-carboxylic acid IUPAC Name: 6-oxo-7-(phenylmethoxycarbonylamino)-1,2,5-dithiazocane-4-carboxylic acid Traditional Name: 7-(benzyloxycarbonylamino)-6-keto-1,2,5-dithiazocane-4-carboxylic acid Formula: C14H16N2O5S2 MolecularWeight: 356.41724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(CSS1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C(C(=O)NC(CSS1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O5S2/c17-12-10(7-22-23-8-11(15-12)13(18)19)16-14(20)21-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,17)(H,16,20)(H,18,19)