ethyl 5-ethyl-4-methyl-2-[2-(2-phenylbutanoyloxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-4-methyl-2-[2-(2-phenylbutanoyloxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[[2-(2-phenylbutanoyloxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-(1-oxo-2-phenylbutoxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-(2-phenylbutanoyloxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-4-methyl-2-[[2-(2-phenylbutanoyloxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)COC(=O)C(CC)C2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)COC(=O)C(CC)C2=CC=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C22H27NO5S/c1-5-16(15-11-9-8-10-12-15)21(25)28-13-18(24)23-20-19(22(26)27-7-3)14(4)17(6-2)29-20/h8-12,16H,5-7,13H2,1-4H3,(H,23,24)