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

Systemtic Name: methyl 2-[2-[cyclohexyl(methyl)amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-23(16-11-7-4-8-12-16)13-18(24)22-20-19(21(25)26-2)17(14-27-20)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3,(H,22,24)