methyl 3-(4-methylphenyl)-2-[[1-(4-methylsulfanylbutyl)cyclopentyl]carbonylamino]propanoate

Systemtic Name: methyl 3-(4-methylphenyl)-2-[[1-(4-methylsulfanylbutyl)cyclopentyl]carbonylamino]propanoate Openeye Name: methyl 2-[[1-(4-methylsulfanylbutyl)cyclopentanecarbonyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)-2-[[[1-[4-(methylthio)butyl]cyclopentyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-2-[[1-(4-methylsulfanylbutyl)cyclopentanecarbonyl]amino]propanoate Traditional Name: 2-[[1-[4-(methylthio)butyl]cyclopentanecarbonyl]amino]-3-(p-tolyl)propionic acid methyl ester Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2(CCCC2)CCCCSC

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2(CCCC2)CCCCSC

InChI

InChI=1S/C22H33NO3S/c1-17-8-10-18(11-9-17)16-19(20(24)26-2)23-21(25)22(12-4-5-13-22)14-6-7-15-27-3/h8-11,19H,4-7,12-16H2,1-3H3,(H,23,25)