ethyl 3-[(1R,3R)-3-[bis(aziridin-1-yl)phosphinothioylamino]cyclohexyl]propanoate

Systemtic Name: ethyl 3-[(1R,3R)-3-[bis(aziridin-1-yl)phosphinothioylamino]cyclohexyl]propanoate Openeye Name: ethyl 3-[(1R,3R)-3-[bis(aziridin-1-yl)phosphinothioylamino]cyclohexyl]propanoate CAS Name: 3-[(1R,3R)-3-[bis(1-aziridinyl)phosphinothioylamino]cyclohexyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(1R,3R)-3-[bis(aziridin-1-yl)phosphinothioylamino]cyclohexyl]propanoate Traditional Name: 3-[(1R,3R)-3-(diethyleniminothiophosphorylamino)cyclohexyl]propionic acid ethyl ester Formula: C15H28N3O2PS MolecularWeight: 345.440481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1CCCC(C1)NP(=S)(N2CC2)N3CC3

Isomeric SMILES

CCOC(=O)CC[C@H]1CCC[C@H](C1)NP(=S)(N2CC2)N3CC3

InChI

InChI=1S/C15H28N3O2PS/c1-2-20-15(19)7-6-13-4-3-5-14(12-13)16-21(22,17-8-9-17)18-10-11-18/h13-14H,2-12H2,1H3,(H,16,22)/t13-,14-/m1/s1