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

Systemtic Name: methyl 2-[[1-(3-methylsulfonylpropyl)cyclobutyl]carbothioylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[1-(3-methylsulfonylpropyl)cyclobutanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[[1-(3-methylsulfonylpropyl)cyclobutyl]-sulfanylidenemethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(3-methylsulfonylpropyl)cyclobutanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[1-(3-mesylpropyl)cyclobutanecarbothioyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C19H26N2O6S2 MolecularWeight: 442.54954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O6S2/c1-27-17(22)16(13-14-5-7-15(8-6-14)21(23)24)20-18(28)19(9-3-10-19)11-4-12-29(2,25)26/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,28)