methyl 2-[(E)-7-methoxy-7-oxidanylidene-1-[4-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[(E)-7-methoxy-7-oxidanylidene-1-[4-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoate Openeye Name: methyl 2-[(E)-1-(3-methoxy-3-oxo-propyl)-4-[4-(4-phenoxybutoxy)phenyl]but-2-enyl]sulfanylbenzoate CAS Name: 2-[[(E)-7-methoxy-7-oxo-1-[4-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-7-methoxy-7-oxo-1-[4-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoate Traditional Name: 2-[[(E)-1-(3-keto-3-methoxy-propyl)-4-[4-(4-phenoxybutoxy)phenyl]but-2-enyl]thio]benzoic acid methyl ester Formula: C32H36O6S MolecularWeight: 548.68964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C=CCC1=CC=C(C=C1)OCCCCOC2=CC=CC=C2)SC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC(=O)CCC(/C=C/CC1=CC=C(C=C1)OCCCCOC2=CC=CC=C2)SC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C32H36O6S/c1-35-31(33)22-21-28(39-30-16-7-6-15-29(30)32(34)36-2)14-10-11-25-17-19-27(20-18-25)38-24-9-8-23-37-26-12-4-3-5-13-26/h3-7,10,12-20,28H,8-9,11,21-24H2,1-2H3/b14-10+