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

Systemtic Name: ethyl 2-[2-[cyclohexyl(ethyl)amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[cyclohexyl(ethyl)amino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)C3CCCCC3

Isomeric SMILES

CCN(CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)C3CCCCC3

InChI

InChI=1S/C23H30N2O3S/c1-3-25(18-13-9-6-10-14-18)15-20(26)24-22-21(23(27)28-4-2)19(16-29-22)17-11-7-5-8-12-17/h5,7-8,11-12,16,18H,3-4,6,9-10,13-15H2,1-2H3,(H,24,26)