methyl (6R)-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate

Systemtic Name: methyl (6R)-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate Openeye Name: methyl (6R)-6-(tert-butoxycarbonylamino)-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate CAS Name: (6R)-2-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate Traditional Name: (6R)-6-(tert-butoxycarbonylamino)-5-keto-2-methyl-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid methyl ester Formula: C13H20N2O5S MolecularWeight: 316.3733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(CS1)NC(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=O)[C@H](CS1)NC(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C13H20N2O5S/c1-7-9(11(17)19-5)15-10(16)8(6-21-7)14-12(18)20-13(2,3)4/h8H,6H2,1-5H3,(H,14,18)(H,15,16)/t8-/m0/s1