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

Systemtic Name: ethyl 5-ethyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H18N2O5S2/c1-3-12-9-14(17(21)24-4-2)16(26-12)18-15(20)10-25-13-7-5-11(6-8-13)19(22)23/h5-9H,3-4,10H2,1-2H3,(H,18,20)