ethyl 2-(2-cyclopentylsulfanylethanoylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-cyclopentylsulfanylethanoylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-cyclopentylsulfanylacetyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(cyclopentylthio)-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyclopentylsulfanylacetyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(cyclopentylthio)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3CCCC3

InChI

InChI=1S/C21H25NO4S2/c1-3-26-21(24)19-17(14-8-10-15(25-2)11-9-14)12-28-20(19)22-18(23)13-27-16-6-4-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H,22,23)