ethyl 2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[4-(p-tolylsulfanyl)butanoylamino]thiophene-3-carboxylate CAS Name: 2-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5-nitrothiophene-3-carboxylate Traditional Name: 5-nitro-2-[4-(p-tolylthio)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C18H20N2O5S2/c1-3-25-18(22)14-11-16(20(23)24)27-17(14)19-15(21)5-4-10-26-13-8-6-12(2)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,19,21)