methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoate

Systemtic Name: methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoate Openeye Name: methyl 2-[6-(tert-butoxycarbonylamino)-5-oxo-1,4-thiazepan-4-yl]acetate CAS Name: 2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1,4-thiazepan-4-yl]acetate Traditional Name: 2-[6-(tert-butoxycarbonylamino)-5-keto-1,4-thiazepan-4-yl]acetic acid methyl ester Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CSCCN(C1=O)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CSCCN(C1=O)CC(=O)OC

InChI

InChI=1S/C13H22N2O5S/c1-13(2,3)20-12(18)14-9-8-21-6-5-15(11(9)17)7-10(16)19-4/h9H,5-8H2,1-4H3,(H,14,18)