ethyl 2-[2-[cyclohexyl(methyl)amino]ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[cyclohexyl(methyl)amino]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN(C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN(C)C3CCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-3-27-22(26)18-14-19(16-10-6-4-7-11-16)28-21(18)23-20(25)15-24(2)17-12-8-5-9-13-17/h4,6-7,10-11,14,17H,3,5,8-9,12-13,15H2,1-2H3,(H,23,25)