methyl 2-[[4-(1-ethanoylpiperidin-4-yl)oxy-3-methoxy-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(1-ethanoylpiperidin-4-yl)oxy-3-methoxy-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(1-acetyl-4-piperidyl)oxy]-3-methoxy-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(1-acetyl-4-piperidinyl)oxy]-3-methoxyphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(1-acetyl-4-piperidyl)oxy]-3-methoxy-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC(CCSC)C(=O)OC)OC

InChI

InChI=1S/C21H30N2O6S/c1-14(24)23-10-7-16(8-11-23)29-18-6-5-15(13-19(18)27-2)20(25)22-17(9-12-30-4)21(26)28-3/h5-6,13,16-17H,7-12H2,1-4H3,(H,22,25)