ethyl (E)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4-methylphenyl)sulfonyl-6-oxidanyl-hex-4-enoate

Systemtic Name: ethyl (E)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4-methylphenyl)sulfonyl-6-oxidanyl-hex-4-enoate Openeye Name: ethyl (E)-2-[tert-butoxycarbonyl(methyl)amino]-6-hydroxy-2-(p-tolylsulfonyl)hex-4-enoate CAS Name: (E)-6-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-methylphenyl)sulfonyl-4-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-6-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4-methylphenyl)sulfonylhex-4-enoate Traditional Name: (E)-2-[tert-butoxycarbonyl(methyl)amino]-6-hydroxy-2-tosyl-hex-4-enoic acid ethyl ester Formula: C21H31NO7S MolecularWeight: 441.53834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCO)(N(C)C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(C/C=C/CO)(N(C)C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C21H31NO7S/c1-7-28-18(24)21(14-8-9-15-23,22(6)19(25)29-20(3,4)5)30(26,27)17-12-10-16(2)11-13-17/h8-13,23H,7,14-15H2,1-6H3/b9-8+