(phenylmethyl) 3-[[[methanethioyl(methyl)amino]-sulfanyl-phosphinothioyl]-methyl-amino]-3-methyl-2-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 3-[[[methanethioyl(methyl)amino]-sulfanyl-phosphinothioyl]-methyl-amino]-3-methyl-2-oxidanylidene-pentanoate Openeye Name: benzyl 3-[[[methanethioyl(methyl)amino]-sulfanyl-phosphinothioyl]-methyl-amino]-3-methyl-2-oxo-pentanoate CAS Name: 3-[[mercapto-[methanethioyl(methyl)amino]phosphinothioyl]-methylamino]-3-methyl-2-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[[methanethioyl(methyl)amino]-sulfanylphosphinothioyl]-methylamino]-3-methyl-2-oxopentanoate Traditional Name: 2-keto-3-[[mercapto-[methyl(thioformyl)amino]thiophosphoryl]-methyl-amino]-3-methyl-valeric acid benzyl ester Formula: C16H23N2O3PS3 MolecularWeight: 418.534181

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C(=O)OCC1=CC=CC=C1)N(C)P(=S)(N(C)C=S)S

Isomeric SMILES

CCC(C)(C(=O)C(=O)OCC1=CC=CC=C1)N(C)P(=S)(N(C)C=S)S

InChI

InChI=1S/C16H23N2O3PS3/c1-5-16(2,18(4)22(24,25)17(3)12-23)14(19)15(20)21-11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H,24,25)