methyl 4-cyano-3-methyl-5-[2-(4-nitrophenyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[2-(4-nitrophenyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H13N3O5S/c1-9-12(8-17)15(25-14(9)16(21)24-2)18-13(20)7-10-3-5-11(6-4-10)19(22)23/h3-6H,7H2,1-2H3,(H,18,20)