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

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)sulfanylethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H17ClN2O5S2 MolecularWeight: 476.95308

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O5S2/c1-2-29-21(26)19-17(13-4-3-5-15(10-13)24(27)28)11-31-20(19)23-18(25)12-30-16-8-6-14(22)7-9-16/h3-11H,2,12H2,1H3,(H,23,25)