ethyl 4-[(4-methoxy-3-methylsulfonyloxy-phenyl)methyl-propan-2-yl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-methoxy-3-methylsulfonyloxy-phenyl)methyl-propan-2-yl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[isopropyl-[(4-methoxy-3-methylsulfonyloxy-phenyl)methyl]amino]-4-oxo-butanoate CAS Name: 4-[(4-methoxy-3-methylsulfonyloxyphenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxy-3-methylsulfonyloxyphenyl)methyl-propan-2-ylamino]-4-oxobutanoate Traditional Name: 4-[isopropyl-(4-methoxy-3-methylsulfonyloxy-benzyl)amino]-4-keto-butyric acid ethyl ester Formula: C18H27NO7S MolecularWeight: 401.47448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(C)C

InChI

InChI=1S/C18H27NO7S/c1-6-25-18(21)10-9-17(20)19(13(2)3)12-14-7-8-15(24-4)16(11-14)26-27(5,22)23/h7-8,11,13H,6,9-10,12H2,1-5H3