ethyl 5-methyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-[[2-(p-tolylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 5-methyl-4-(4-nitrophenyl)-2-[[2-(p-tolylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H22N2O5S2/c1-4-30-23(27)21-20(16-7-9-17(10-8-16)25(28)29)15(3)32-22(21)24-19(26)13-31-18-11-5-14(2)6-12-18/h5-12H,4,13H2,1-3H3,(H,24,26)