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

Systemtic Name: ethyl 2-[2-(4-methylphenyl)sulfanylethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-[[2-(p-tolylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-[[2-(p-tolylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S2/c1-3-29-22(26)20-18(15-5-4-6-16(11-15)24(27)28)12-31-21(20)23-19(25)13-30-17-9-7-14(2)8-10-17/h4-12H,3,13H2,1-2H3,(H,23,25)