ethyl 1-[5-(1,3-benzoxazol-2-ylsulfanylmethyl)furan-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(1,3-benzoxazol-2-ylsulfanylmethyl)furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(1,3-benzoxazol-2-ylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[(1,3-benzoxazol-2-ylthio)methyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(1,3-benzoxazol-2-ylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[(1,3-benzoxazol-2-ylthio)methyl]-2-furoyl]nipecotic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O5S/c1-2-26-20(25)14-6-5-11-23(12-14)19(24)18-10-9-15(27-18)13-29-21-22-16-7-3-4-8-17(16)28-21/h3-4,7-10,14H,2,5-6,11-13H2,1H3