[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 4-[methyl(2-thienylsulfonyl)amino]butanoate CAS Name: 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Traditional Name: 4-[methyl(2-thienylsulfonyl)amino]butyric acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CCCN(C)S(=O)(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CCCN(C)S(=O)(=O)C2=CC=CS2)C

InChI

InChI=1S/C20H25NO5S2/c1-14-9-10-17(13-15(14)2)20(23)16(3)26-18(22)7-5-11-21(4)28(24,25)19-8-6-12-27-19/h6,8-10,12-13,16H,5,7,11H2,1-4H3