methyl 2-[[1-(3-methylsulfanylpropyl)cyclobutyl]carbothioylamino]-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl 2-[[1-(3-methylsulfanylpropyl)cyclobutyl]carbothioylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[1-(3-methylsulfanylpropyl)cyclobutanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[[1-[3-(methylthio)propyl]cyclobutyl]-sulfanylidenemethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(3-methylsulfanylpropyl)cyclobutanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[1-[3-(methylthio)propyl]cyclobutanecarbothioyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C19H26N2O4S2 MolecularWeight: 410.55074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)C2(CCC2)CCCSC

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)C2(CCC2)CCCSC

InChI

InChI=1S/C19H26N2O4S2/c1-25-17(22)16(13-14-5-7-15(8-6-14)21(23)24)20-18(26)19(9-3-10-19)11-4-12-27-2/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,26)