[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2)C

InChI

InChI=1S/C21H26N2O4S/c1-5-15-9-6-8-14(4)19(15)22-17(24)12-27-21(26)18(13(2)3)23-20(25)16-10-7-11-28-16/h6-11,13,18H,5,12H2,1-4H3,(H,22,24)(H,23,25)/t18-/m0/s1