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

Systemtic Name: methyl 2-[[1-(4-methylsulfanylbutyl)cyclopentyl]carbonylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[1-(4-methylsulfanylbutyl)cyclopentanecarbonyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[[1-[4-(methylthio)butyl]cyclopentyl]-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylsulfanylbutyl)cyclopentanecarbonyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[1-[4-(methylthio)butyl]cyclopentanecarbonyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2(CCCC2)CCCCSC

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2(CCCC2)CCCCSC

InChI

InChI=1S/C21H30N2O5S/c1-28-19(24)18(15-16-7-9-17(10-8-16)23(26)27)22-20(25)21(11-3-4-12-21)13-5-6-14-29-2/h7-10,18H,3-6,11-15H2,1-2H3,(H,22,25)