ethyl 4-cyclopropyl-2-[2-(2-phenylsulfanylethanoyloxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-(2-phenylsulfanylethanoyloxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[1-oxo-2-[1-oxo-2-(phenylthio)ethoxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[2-(phenylthio)acetyl]oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S2/c1-2-25-20(24)18-15(13-8-9-13)11-28-19(18)21-16(22)10-26-17(23)12-27-14-6-4-3-5-7-14/h3-7,11,13H,2,8-10,12H2,1H3,(H,21,22)