methyl (3R,6R)-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylate

Systemtic Name: methyl (3R,6R)-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3R,6R)-6-(benzyloxycarbonylamino)-5-oxo-1,4-thiazepane-3-carboxylate CAS Name: (3R,6R)-5-oxo-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,6R)-5-oxo-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylate Traditional Name: (3R,6R)-6-(benzyloxycarbonylamino)-5-keto-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSCC(C(=O)N1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CSC[C@@H](C(=O)N1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O5S/c1-21-14(19)12-9-23-8-11(13(18)16-12)17-15(20)22-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,18)(H,17,20)/t11-,12-/m0/s1