methyl 4-cyano-5-[2-(2,4-dimethyl-6-nitro-phenoxy)ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-5-[2-(2,4-dimethyl-6-nitro-phenoxy)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[[2-(2,4-dimethyl-6-nitro-phenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(2,4-dimethyl-6-nitrophenoxy)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[[2-(2,4-dimethyl-6-nitrophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(2,4-dimethyl-6-nitro-phenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C

InChI

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