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

Systemtic Name: ethyl 2-(3-chloranylpropanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(3-chloropropanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[(3-chloro-1-oxopropyl)amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloropropanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(3-chloropropanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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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)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O5S/c1-3-25-17(22)15-14(11-4-6-12(7-5-11)20(23)24)10(2)26-16(15)19-13(21)8-9-18/h4-7H,3,8-9H2,1-2H3,(H,19,21)