(4-methoxyphenyl)methyl (6S)-7-formamido-8-oxidanylidene-3-[(triphenyl-$l^{5}-phosphanylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6S)-7-formamido-8-oxidanylidene-3-[(triphenyl-$l^{5}-phosphanylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6S)-7-formamido-8-oxo-3-[(triphenyl-$l^{5}-phosphanylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-formamido-8-oxo-3-(triphenylphosphoranylidenemethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6S)-7-formamido-8-oxo-3-[(triphenyl-$l^{5}-phosphanylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-formamido-8-keto-3-(triphenylphosphoranylidenemethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C35H31N2O5PS MolecularWeight: 622.669801

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@@H]3N2C(=O)C3NC=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H31N2O5PS/c1-41-27-19-17-25(18-20-27)21-42-35(40)32-26(23-44-34-31(36-24-38)33(39)37(32)34)22-43(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,22,24,31,34H,21,23H2,1H3,(H,36,38)/t31?,34-/m0/s1