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

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O5S2/c1-2-25-17(22)13-10-15(20(23)24)27-16(13)19-14(21)4-3-9-26-12-7-5-11(18)6-8-12/h5-8,10H,2-4,9H2,1H3,(H,19,21)