[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2)C

InChI

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