ethyl 4-cyano-3-methyl-5-[2-(2-methyl-4-nitro-phenoxy)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(2-methyl-4-nitro-phenoxy)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(2-methyl-4-nitro-phenoxy)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-(2-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(2-methyl-4-nitro-phenoxy)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C)C#N)C

InChI

InChI=1S/C18H17N3O6S/c1-4-26-18(23)16-11(3)13(8-19)17(28-16)20-15(22)9-27-14-6-5-12(21(24)25)7-10(14)2/h5-7H,4,9H2,1-3H3,(H,20,22)