methyl 2-[2-[cyclohexyl(methyl)amino]ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[cyclohexyl(methyl)amino]ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C(=O)OC)C3CCCCC3

Isomeric SMILES

CN(CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-24(16-7-5-4-6-8-16)13-19(25)23-21-20(22(26)28-3)18(14-29-21)15-9-11-17(27-2)12-10-15/h9-12,14,16H,4-8,13H2,1-3H3,(H,23,25)