ethyl 4-(4-ethoxyphenyl)-5-methyl-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(phenylthio)acetyl]amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H25NO4S2 MolecularWeight: 455.5896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C24H25NO4S2/c1-4-28-18-13-11-17(12-14-18)21-16(3)31-23(22(21)24(27)29-5-2)25-20(26)15-30-19-9-7-6-8-10-19/h6-14H,4-5,15H2,1-3H3,(H,25,26)