methyl (2S)-2-[[4-(1-cyclopropylcarbonylpiperidin-4-yl)oxyphenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(1-cyclopropylcarbonylpiperidin-4-yl)oxyphenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[[1-(cyclopropanecarbonyl)-4-piperidyl]oxy]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[[1-(cyclopropanecarbonyl)-4-piperidyl]oxy]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C22H30N2O5S/c1-28-22(27)19(11-14-30-2)23-20(25)15-5-7-17(8-6-15)29-18-9-12-24(13-10-18)21(26)16-3-4-16/h5-8,16,18-19H,3-4,9-14H2,1-2H3,(H,23,25)/t19-/m0/s1