ethyl 4-[[[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[[4-[4-(4-pyridyl)phenyl]thiophene-2-carbonyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[oxo-[4-(4-pyridin-4-ylphenyl)-2-thiophenyl]methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(4-pyridin-4-ylphenyl)thiophene-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[4-[4-(4-pyridyl)phenyl]thiophene-2-carbonyl]amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CNC(=O)C2=CC(=CS2)C3=CC=C(C=C3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CNC(=O)C2=CC(=CS2)C3=CC=C(C=C3)C4=CC=NC=C4

InChI

InChI=1S/C26H28N2O3S/c1-2-31-26(30)22-5-3-18(4-6-22)16-28-25(29)24-15-23(17-32-24)20-9-7-19(8-10-20)21-11-13-27-14-12-21/h7-15,17-18,22H,2-6,16H2,1H3,(H,28,29)