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

Systemtic Name: methyl 3-(4-methylphenyl)-2-[[1-(3-methylsulfonylpropyl)cyclobutyl]carbothioylamino]propanoate Openeye Name: methyl 2-[[1-(3-methylsulfonylpropyl)cyclobutanecarbothioyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)-2-[[[1-(3-methylsulfonylpropyl)cyclobutyl]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-2-[[1-(3-methylsulfonylpropyl)cyclobutanecarbothioyl]amino]propanoate Traditional Name: 2-[[1-(3-mesylpropyl)cyclobutanecarbothioyl]amino]-3-(p-tolyl)propionic acid methyl ester Formula: C20H29NO4S2 MolecularWeight: 411.57856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C2(CCC2)CCCS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C2(CCC2)CCCS(=O)(=O)C

InChI

InChI=1S/C20H29NO4S2/c1-15-6-8-16(9-7-15)14-17(18(22)25-2)21-19(26)20(10-4-11-20)12-5-13-27(3,23)24/h6-9,17H,4-5,10-14H2,1-3H3,(H,21,26)