[(2S)-1-[[2-[(2R)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [(2S)-1-[[2-[(2R)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [(1S)-1-methyl-2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [(1S)-2-keto-1-methyl-2-[2-[(1R)-1-methylpropyl]anilino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC[C@@H](C)C1=CC=CC=C1NC(=O)[C@H](C)OC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C21H25NO4S/c1-4-14(2)16-8-5-6-9-17(16)22-21(25)15(3)26-20(24)12-11-18(23)19-10-7-13-27-19/h5-10,13-15H,4,11-12H2,1-3H3,(H,22,25)/t14-,15+/m1/s1