ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[3-[(4-methoxyphenyl)thio]propanoylamino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CCSC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CCSC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H18N2O6S2/c1-3-25-17(21)13-10-15(19(22)23)27-16(13)18-14(20)8-9-26-12-6-4-11(24-2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,18,20)