S-[2-[2-bis[di(propan-2-yl)amino]phosphanyloxyethoxy]ethyl] (E)-3-azanyl-2-methyl-but-2-enethioate

Systemtic Name: S-[2-[2-bis[di(propan-2-yl)amino]phosphanyloxyethoxy]ethyl] (E)-3-azanyl-2-methyl-but-2-enethioate Openeye Name: S-[2-[2-bis(diisopropylamino)phosphanyloxyethoxy]ethyl] (E)-3-amino-2-methyl-but-2-enethioate CAS Name: (E)-3-amino-2-methyl-2-butenethioic acid S-[2-[2-bis[di(propan-2-yl)amino]phosphinooxyethoxy]ethyl] ester IUPAC Name: S-[2-[2-bis[di(propan-2-yl)amino]phosphanyloxyethoxy]ethyl] (E)-3-amino-2-methylbut-2-enethioate Traditional Name: (E)-3-amino-2-methyl-but-2-enethioic acid S-[2-[2-bis(diisopropylamino)phosphinooxyethoxy]ethyl] ester Formula: C21H44N3O3PS MolecularWeight: 449.631121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(N(C(C)C)C(C)C)OCCOCCSC(=O)C(=C(C)N)C

Isomeric SMILES

CC(C)N(C(C)C)P(N(C(C)C)C(C)C)OCCOCCSC(=O)/C(=C(\C)/N)/C

InChI

InChI=1S/C21H44N3O3PS/c1-15(2)23(16(3)4)28(24(17(5)6)18(7)8)27-12-11-26-13-14-29-21(25)19(9)20(10)22/h15-18H,11-14,22H2,1-10H3/b20-19+