methyl 2-[cyclobutyl(methanethioyl)amino]-5-methylsulfonyl-2-(phenylmethyl)pentanoate

Systemtic Name: methyl 2-[cyclobutyl(methanethioyl)amino]-5-methylsulfonyl-2-(phenylmethyl)pentanoate Openeye Name: methyl 2-benzyl-2-[cyclobutyl(methanethioyl)amino]-5-methylsulfonyl-pentanoate CAS Name: 2-[cyclobutyl(methanethioyl)amino]-5-methylsulfonyl-2-(phenylmethyl)pentanoic acid methyl ester IUPAC Name: methyl 2-benzyl-2-[cyclobutyl(methanethioyl)amino]-5-methylsulfonylpentanoate Traditional Name: 2-benzyl-2-[cyclobutyl(thioformyl)amino]-5-mesyl-valeric acid methyl ester Formula: C19H27NO4S2 MolecularWeight: 397.55198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCS(=O)(=O)C)(CC1=CC=CC=C1)N(C=S)C2CCC2

Isomeric SMILES

COC(=O)C(CCCS(=O)(=O)C)(CC1=CC=CC=C1)N(C=S)C2CCC2

InChI

InChI=1S/C19H27NO4S2/c1-24-18(21)19(12-7-13-26(2,22)23,14-16-8-4-3-5-9-16)20(15-25)17-10-6-11-17/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3