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

Systemtic Name: ethyl (E)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4-methylphenyl)sulfonyl-hex-4-enoate Openeye Name: ethyl (E)-2-[tert-butoxycarbonyl(methyl)amino]-2-(p-tolylsulfonyl)hex-4-enoate CAS Name: (E)-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-methylphenyl)sulfonyl-4-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4-methylphenyl)sulfonylhex-4-enoate Traditional Name: (E)-2-[tert-butoxycarbonyl(methyl)amino]-2-tosyl-hex-4-enoic acid ethyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H31NO6S/c1-8-10-15-21(18(23)27-9-2,22(7)19(24)28-20(4,5)6)29(25,26)17-13-11-16(3)12-14-17/h8,10-14H,9,15H2,1-7H3/b10-8+