[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butyric acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C26H32N2O9S MolecularWeight: 548.60528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C26H32N2O9S/c1-17(2)24(26(31)37-16-22(29)21-15-19(34-3)8-9-23(21)35-4)27-25(30)18-6-5-7-20(14-18)38(32,33)28-10-12-36-13-11-28/h5-9,14-15,17,24H,10-13,16H2,1-4H3,(H,27,30)/t24-/m0/s1