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

Systemtic Name: ethyl 2-[[(2S)-2-(2-benzamidoethanoyloxy)propanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(2-benzamidoacetyl)oxypropanoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(2-benzamido-1-oxoethoxy)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(2-benzamidoacetyl)oxypropanoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-hippuroyloxypropanoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)OC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@H](C)OC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O6S/c1-3-32-25(31)21-19(17-10-6-4-7-11-17)15-34-24(21)27-22(29)16(2)33-20(28)14-26-23(30)18-12-8-5-9-13-18/h4-13,15-16H,3,14H2,1-2H3,(H,26,30)(H,27,29)/t16-/m0/s1