ethyl 2-(4-chloranylbutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(4-chloranylbutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(4-chlorobutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorobutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5S/c1-3-26-18(23)16-15(12-6-8-13(9-7-12)21(24)25)11(2)27-17(16)20-14(22)5-4-10-19/h6-9H,3-5,10H2,1-2H3,(H,20,22)