ethyl 1-[[2-(furan-2-ylcarbonylamino)-5-methyl-thiophen-3-yl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-(furan-2-ylcarbonylamino)-5-methyl-thiophen-3-yl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(furan-2-carbonylamino)-5-methyl-3-thienyl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[2-furanyl(oxo)methyl]amino]-5-methyl-3-thiophenyl]-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(2-furoylamino)-5-methyl-3-thienyl]-[4-(methylthio)phenyl]methyl]isonipecotic acid ethyl ester Formula: C26H30N2O4S2 MolecularWeight: 498.6574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(SC(=C3)C)NC(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(SC(=C3)C)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H30N2O4S2/c1-4-31-26(30)19-11-13-28(14-12-19)23(18-7-9-20(33-3)10-8-18)21-16-17(2)34-25(21)27-24(29)22-6-5-15-32-22/h5-10,15-16,19,23H,4,11-14H2,1-3H3,(H,27,29)