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

Systemtic Name: ethyl 1-[[2-(furan-2-ylcarbonylamino)-5-methyl-thiophen-3-yl]-phenyl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(furan-2-carbonylamino)-5-methyl-3-thienyl]-phenyl-methyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[2-furanyl(oxo)methyl]amino]-5-methyl-3-thiophenyl]-phenylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-phenylmethyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(2-furoylamino)-5-methyl-3-thienyl]-phenyl-methyl]isonipecotic acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-3-30-25(29)19-11-13-27(14-12-19)22(18-8-5-4-6-9-18)20-16-17(2)32-24(20)26-23(28)21-10-7-15-31-21/h4-10,15-16,19,22H,3,11-14H2,1-2H3,(H,26,28)