4-methylsulfonylbutyl 2-[cyclobutyl(methanethioyl)amino]-3-phenyl-propanoate

Systemtic Name: 4-methylsulfonylbutyl 2-[cyclobutyl(methanethioyl)amino]-3-phenyl-propanoate Openeye Name: 4-methylsulfonylbutyl 2-[cyclobutyl(methanethioyl)amino]-3-phenyl-propanoate CAS Name: 2-[cyclobutyl(methanethioyl)amino]-3-phenylpropanoic acid 4-methylsulfonylbutyl ester IUPAC Name: 4-methylsulfonylbutyl 2-[cyclobutyl(methanethioyl)amino]-3-phenylpropanoate Traditional Name: 2-[cyclobutyl(thioformyl)amino]-3-phenyl-propionic acid 4-mesylbutyl ester Formula: C19H27NO4S2 MolecularWeight: 397.55198

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCOC(=O)C(CC1=CC=CC=C1)N(C=S)C2CCC2

Isomeric SMILES

CS(=O)(=O)CCCCOC(=O)C(CC1=CC=CC=C1)N(C=S)C2CCC2

InChI

InChI=1S/C19H27NO4S2/c1-26(22,23)13-6-5-12-24-19(21)18(14-16-8-3-2-4-9-16)20(15-25)17-10-7-11-17/h2-4,8-9,15,17-18H,5-7,10-14H2,1H3