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

Systemtic Name: ethyl 5-ethyl-4-methyl-2-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-[1-oxo-3-(phenylthio)propoxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-4-methyl-2-[[2-[3-(phenylthio)propanoyloxy]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)COC(=O)CCSC2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)COC(=O)CCSC2=CC=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C21H25NO5S2/c1-4-16-14(3)19(21(25)26-5-2)20(29-16)22-17(23)13-27-18(24)11-12-28-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3,(H,22,23)