ethyl 2-[[(2S)-2-(4-oxidanylidenepentanoyloxy)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(4-oxidanylidenepentanoyloxy)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(4-oxopentanoyloxy)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(1,4-dioxopentoxy)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(4-oxopentanoyloxy)propanoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(4-ketopentanoyloxy)propanoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CCC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-4-27-21(26)16-12-17(15-8-6-5-7-9-15)29-20(16)22-19(25)14(3)28-18(24)11-10-13(2)23/h5-9,12,14H,4,10-11H2,1-3H3,(H,22,25)/t14-/m0/s1