ethyl 2-[bis(dimethylamino)phosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[bis(dimethylamino)phosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate Openeye Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(dimethylamino)phosphorylmethyl]amino]acetate CAS Name: 2-[bis(dimethylamino)phosphorylmethyl-[oxo-(phenylmethylthio)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(dimethylamino)phosphorylmethyl]amino]acetate Traditional Name: 2-[(benzylthio)carbonyl-[bis(dimethylamino)phosphorylmethyl]amino]acetic acid ethyl ester Formula: C17H28N3O4PS MolecularWeight: 401.460681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CP(=O)(N(C)C)N(C)C)C(=O)SCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CN(CP(=O)(N(C)C)N(C)C)C(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C17H28N3O4PS/c1-6-24-16(21)12-20(14-25(23,18(2)3)19(4)5)17(22)26-13-15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3