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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=CC(=C(C=C2)C(C)C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=CC(=C(C=C2)C(C)C)C)C#N)C

InChI

InChI=1S/C21H24N2O4S/c1-6-26-21(25)19-14(5)17(10-22)20(28-19)23-18(24)11-27-15-7-8-16(12(2)3)13(4)9-15/h7-9,12H,6,11H2,1-5H3,(H,23,24)