tert-butyl N-[1-azanyl-3-[4-bis(oxidanyl)phosphinothioyloxyphenyl]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-azanyl-3-[4-bis(oxidanyl)phosphinothioyloxyphenyl]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-amino-1-[(4-dihydroxyphosphinothioyloxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-amino-3-(4-dihydroxyphosphinothioyloxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-amino-3-(4-dihydroxyphosphinothioyloxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-amino-1-(4-dihydroxythiophosphoryloxybenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C14H21N2O6PS MolecularWeight: 376.365101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OP(=S)(O)O)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OP(=S)(O)O)C(=O)N

InChI

InChI=1S/C14H21N2O6PS/c1-14(2,3)21-13(18)16-11(12(15)17)8-9-4-6-10(7-5-9)22-23(19,20)24/h4-7,11H,8H2,1-3H3,(H2,15,17)(H,16,18)(H2,19,20,24)