methyl (3S,6S)-6-acetamido-2,2-dimethyl-5-oxidanylidene-1,4-thiazepane-3-carboxylate

Systemtic Name: methyl (3S,6S)-6-acetamido-2,2-dimethyl-5-oxidanylidene-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S,6S)-6-acetamido-2,2-dimethyl-5-oxo-1,4-thiazepane-3-carboxylate CAS Name: (3S,6S)-6-acetamido-2,2-dimethyl-5-oxo-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,6S)-6-acetamido-2,2-dimethyl-5-oxo-1,4-thiazepane-3-carboxylate Traditional Name: (3S,6S)-6-acetamido-5-keto-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C11H18N2O4S MolecularWeight: 274.33662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CSC(C(NC1=O)C(=O)OC)(C)C

Isomeric SMILES

CC(=O)N[C@@H]1CSC([C@@H](NC1=O)C(=O)OC)(C)C

InChI

InChI=1S/C11H18N2O4S/c1-6(14)12-7-5-18-11(2,3)8(10(16)17-4)13-9(7)15/h7-8H,5H2,1-4H3,(H,12,14)(H,13,15)/t7-,8+/m1/s1