(phenylmethyl) 2-[[[hept-4-ynoyl(methyl)amino]-propylsulfanyl-phosphinothioyl]-methyl-amino]-2-oxidanylidene-ethanoate

Systemtic Name: (phenylmethyl) 2-[[[hept-4-ynoyl(methyl)amino]-propylsulfanyl-phosphinothioyl]-methyl-amino]-2-oxidanylidene-ethanoate Openeye Name: benzyl 2-[[[hept-4-ynoyl(methyl)amino]-propylsulfanyl-phosphinothioyl]-methyl-amino]-2-oxo-acetate CAS Name: 2-[methyl-[[methyl(1-oxohept-4-ynyl)amino]-(propylthio)phosphinothioyl]amino]-2-oxoacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[[hept-4-ynoyl(methyl)amino]-propylsulfanylphosphinothioyl]-methylamino]-2-oxoacetate Traditional Name: 2-[[[hept-4-ynoyl(methyl)amino]-(propylthio)thiophosphoryl]-methyl-amino]-2-keto-acetic acid benzyl ester Formula: C21H29N2O4PS2 MolecularWeight: 468.569721

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=S)(N(C)C(=O)CCC#CCC)N(C)C(=O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCSP(=S)(N(C)C(=O)CCC#CCC)N(C)C(=O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H29N2O4PS2/c1-5-7-8-12-15-19(24)22(3)28(29,30-16-6-2)23(4)20(25)21(26)27-17-18-13-10-9-11-14-18/h9-11,13-14H,5-6,12,15-17H2,1-4H3