[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)C

InChI

InChI=1S/C21H23NO5S/c1-14-5-6-16(12-15(14)2)18(24)13-27-21(26)9-10-22-20(25)8-7-17(23)19-4-3-11-28-19/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)