[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-[4-(dimethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)N(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)N(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C21H25N3O5S/c1-13(2)18(23-19(26)16-6-5-11-30-16)21(28)29-12-17(25)22-15-9-7-14(8-10-15)20(27)24(3)4/h5-11,13,18H,12H2,1-4H3,(H,22,25)(H,23,26)