ethyl (Z)-3-(5-isothiocyanato-2-methyl-phenyl)-2-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate

Systemtic Name: ethyl (Z)-3-(5-isothiocyanato-2-methyl-phenyl)-2-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate Openeye Name: ethyl (Z)-3-(5-isothiocyanato-2-methyl-phenyl)-2-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate CAS Name: (Z)-3-(5-isothiocyanato-2-methylphenyl)-2-(triphenylphosphoranylideneamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(5-isothiocyanato-2-methylphenyl)-2-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate Traditional Name: (Z)-3-(5-isothiocyanato-2-methyl-phenyl)-2-(triphenylphosphoranylideneamino)acrylic acid ethyl ester Formula: C31H27N2O2PS MolecularWeight: 522.597041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C=CC(=C1)N=C=S)C)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C=CC(=C1)N=C=S)C)/N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H27N2O2PS/c1-3-35-31(34)30(22-25-21-26(32-23-37)20-19-24(25)2)33-36(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22H,3H2,1-2H3/b30-22-