[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C22H28N2O4S/c1-14(2)19(24-20(26)17-7-6-12-29-17)21(27)28-13-18(25)23-16-10-8-15(9-11-16)22(3,4)5/h6-12,14,19H,13H2,1-5H3,(H,23,25)(H,24,26)/t19-/m1/s1