ethyl (E)-2-diethoxyphosphinothioylsulfanyl-3-[(4-nitrophenyl)amino]but-2-enoate

Systemtic Name: ethyl (E)-2-diethoxyphosphinothioylsulfanyl-3-[(4-nitrophenyl)amino]but-2-enoate Openeye Name: ethyl (E)-2-diethoxyphosphinothioylsulfanyl-3-(4-nitroanilino)but-2-enoate CAS Name: (E)-2-(diethoxyphosphinothioylthio)-3-(4-nitroanilino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-diethoxyphosphinothioylsulfanyl-3-(4-nitroanilino)but-2-enoate Traditional Name: (E)-2-(diethoxythiophosphorylthio)-3-(4-nitroanilino)but-2-enoic acid ethyl ester Formula: C16H23N2O6PS2 MolecularWeight: 434.467381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NC1=CC=C(C=C1)[N+](=O)[O-])SP(=S)(OCC)OCC

Isomeric SMILES

CCOC(=O)/C(=C(/C)\NC1=CC=C(C=C1)[N+](=O)[O-])/SP(=S)(OCC)OCC

InChI

InChI=1S/C16H23N2O6PS2/c1-5-22-16(19)15(27-25(26,23-6-2)24-7-3)12(4)17-13-8-10-14(11-9-13)18(20)21/h8-11,17H,5-7H2,1-4H3/b15-12+