ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]-4-(tetrahydropyran-2-ylmethyl)piperidine-4-carboxylate CAS Name: 1-[[3-(methylthio)anilino]-oxomethyl]-4-(2-oxanylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Traditional Name: 1-[[3-(methylthio)phenyl]carbamoyl]-4-(tetrahydropyran-2-ylmethyl)isonipecotic acid ethyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC(=CC=C2)SC)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC(=CC=C2)SC)CC3CCCCO3

InChI

InChI=1S/C22H32N2O4S/c1-3-27-20(25)22(16-18-8-4-5-14-28-18)10-12-24(13-11-22)21(26)23-17-7-6-9-19(15-17)29-2/h6-7,9,15,18H,3-5,8,10-14,16H2,1-2H3,(H,23,26)