ethyl 2-[2-[(3S)-3-phenylbutanoyl]oxyethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3S)-3-phenylbutanoyl]oxyethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-[(3S)-3-phenylbutanoyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(3S)-1-oxo-3-phenylbutoxy]ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3S)-3-phenylbutanoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-[(3S)-3-phenylbutanoyl]oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)CC(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-5-27-22(26)17-12-18(14(2)3)29-21(17)23-19(24)13-28-20(25)11-15(4)16-9-7-6-8-10-16/h6-10,12,14-15H,5,11,13H2,1-4H3,(H,23,24)/t15-/m0/s1