[(Z)-2-cyano-3-[ethoxycarbonyl(phenyl)amino]-3-sulfanyl-prop-2-enyl]-tri(propan-2-yl)phosphanium

Systemtic Name: [(Z)-2-cyano-3-[ethoxycarbonyl(phenyl)amino]-3-sulfanyl-prop-2-enyl]-tri(propan-2-yl)phosphanium Openeye Name: [(Z)-2-cyano-3-(N-ethoxycarbonylanilino)-3-sulfanyl-allyl]-triisopropyl-phosphonium CAS Name: [(Z)-2-cyano-3-(N-ethoxycarbonylanilino)-3-mercaptoprop-2-enyl]-tri(propan-2-yl)phosphonium IUPAC Name: [(Z)-2-cyano-3-(N-ethoxycarbonylanilino)-3-sulfanylprop-2-enyl]-tri(propan-2-yl)phosphanium Traditional Name: [(Z)-3-(N-carbethoxyanilino)-2-cyano-3-mercapto-allyl]-triisopropyl-phosphonium Formula: C22H34N2O2PS+ MolecularWeight: 421.556321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1=CC=CC=C1)C(=C(C[P+](C(C)C)(C(C)C)C(C)C)C#N)S

Isomeric SMILES

CCOC(=O)N(C1=CC=CC=C1)/C(=C(/C[P+](C(C)C)(C(C)C)C(C)C)\C#N)/S

InChI

InChI=1S/C22H33N2O2PS/c1-8-26-22(25)24(20-12-10-9-11-13-20)21(28)19(14-23)15-27(16(2)3,17(4)5)18(6)7/h9-13,16-18H,8,15H2,1-7H3/p+1/b21-19-