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

Systemtic Name: ethyl (E)-2-diethoxyphosphinothioylsulfanyl-3-[(4-methylphenyl)amino]but-2-enoate Openeye Name: ethyl (E)-2-diethoxyphosphinothioylsulfanyl-3-(4-methylanilino)but-2-enoate CAS Name: (E)-2-(diethoxyphosphinothioylthio)-3-(4-methylanilino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-diethoxyphosphinothioylsulfanyl-3-(4-methylanilino)but-2-enoate Traditional Name: (E)-2-(diethoxythiophosphorylthio)-3-(p-toluidino)but-2-enoic acid ethyl ester Formula: C17H26NO4PS2 MolecularWeight: 403.496401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NC1=CC=C(C=C1)C)SP(=S)(OCC)OCC

Isomeric SMILES

CCOC(=O)/C(=C(/C)\NC1=CC=C(C=C1)C)/SP(=S)(OCC)OCC

InChI

InChI=1S/C17H26NO4PS2/c1-6-20-17(19)16(25-23(24,21-7-2)22-8-3)14(5)18-15-11-9-13(4)10-12-15/h9-12,18H,6-8H2,1-5H3/b16-14+