ethyl 2-(2-cyclopentylsulfanylethanoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-cyclopentylsulfanylethanoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-cyclopentylsulfanylacetyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(cyclopentylthio)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyclopentylsulfanylacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(cyclopentylthio)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S2/c1-3-25-21(24)19-18(15-9-5-4-6-10-15)14(2)27-20(19)22-17(23)13-26-16-11-7-8-12-16/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H,22,23)