methyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-methylsulfonyl-hex-2-enoate

Systemtic Name: methyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-methylsulfonyl-hex-2-enoate Openeye Name: methyl (E,4S)-4-(tert-butoxycarbonylamino)-6-methylsulfonyl-hex-2-enoate CAS Name: (E,4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-methylsulfonyl-2-hexenoic acid methyl ester IUPAC Name: methyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-methylsulfonylhex-2-enoate Traditional Name: (E,4S)-4-(tert-butoxycarbonylamino)-6-mesyl-hex-2-enoic acid methyl ester Formula: C13H23NO6S MolecularWeight: 321.38982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCS(=O)(=O)C)C=CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCS(=O)(=O)C)/C=C/C(=O)OC

InChI

InChI=1S/C13H23NO6S/c1-13(2,3)20-12(16)14-10(6-7-11(15)19-4)8-9-21(5,17)18/h6-7,10H,8-9H2,1-5H3,(H,14,16)/b7-6+/t10-/m1/s1