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

Systemtic Name: 3-methylsulfonylpropyl 2-[cyclobutyl(methanethioyl)amino]-3-phenyl-propanoate Openeye Name: 3-methylsulfonylpropyl 2-[cyclobutyl(methanethioyl)amino]-3-phenyl-propanoate CAS Name: 2-[cyclobutyl(methanethioyl)amino]-3-phenylpropanoic acid 3-methylsulfonylpropyl ester IUPAC Name: 3-methylsulfonylpropyl 2-[cyclobutyl(methanethioyl)amino]-3-phenylpropanoate Traditional Name: 2-[cyclobutyl(thioformyl)amino]-3-phenyl-propionic acid 3-mesylpropyl ester Formula: C18H25NO4S2 MolecularWeight: 383.5254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S2/c1-25(21,22)12-6-11-23-18(20)17(13-15-7-3-2-4-8-15)19(14-24)16-9-5-10-16/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3