methyl 4-(1,3-benzothiazol-2-yl)-4-cyano-3-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)butanoate

Systemtic Name: methyl 4-(1,3-benzothiazol-2-yl)-4-cyano-3-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)butanoate Openeye Name: methyl 4-(1,3-benzothiazol-2-yl)-4-cyano-3-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)-4-cyano-3-phenyl-2-triphenylphosphoranylidenebutanoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzothiazol-2-yl)-4-cyano-3-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)-4-cyano-3-phenyl-2-triphenylphosphoranylidene-butyric acid methyl ester Formula: C37H29N2O2PS MolecularWeight: 596.677121

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C(C#N)C5=NC6=CC=CC=C6S5

Isomeric SMILES

COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C(C#N)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C37H29N2O2PS/c1-41-37(40)35(34(27-16-6-2-7-17-27)31(26-38)36-39-32-24-14-15-25-33(32)43-36)42(28-18-8-3-9-19-28,29-20-10-4-11-21-29)30-22-12-5-13-23-30/h2-25,31,34H,1H3