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

Systemtic Name: ethyl 4-[[[4-(4-hydroxyphenyl)thiophen-2-yl]carbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[[4-(4-hydroxyphenyl)-2-thiophenyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-2-26-21(25)16-5-3-14(4-6-16)12-22-20(24)19-11-17(13-27-19)15-7-9-18(23)10-8-15/h7-11,13-14,16,23H,2-6,12H2,1H3,(H,22,24)