(E,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-7-[(4-methylsulfanylphenyl)carbamoyloxy]hept-2-enoic acid

Systemtic Name: (E,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-7-[(4-methylsulfanylphenyl)carbamoyloxy]hept-2-enoic acid Openeye Name: (E,7S)-7-(3-hydroxy-4-methoxy-phenyl)-7-[(4-methylsulfanylphenyl)carbamoyloxy]hept-2-enoic acid CAS Name: (E,7S)-7-(3-hydroxy-4-methoxyphenyl)-7-[[4-(methylthio)anilino]-oxomethoxy]-2-heptenoic acid IUPAC Name: (E,7S)-7-(3-hydroxy-4-methoxyphenyl)-7-[(4-methylsulfanylphenyl)carbamoyloxy]hept-2-enoic acid Traditional Name: (E,7S)-7-(3-hydroxy-4-methoxy-phenyl)-7-[[4-(methylthio)phenyl]carbamoyloxy]hept-2-enoic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCC=CC(=O)O)OC(=O)NC2=CC=C(C=C2)SC)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CCC/C=C/C(=O)O)OC(=O)NC2=CC=C(C=C2)SC)O

InChI

InChI=1S/C22H25NO6S/c1-28-20-13-8-15(14-18(20)24)19(6-4-3-5-7-21(25)26)29-22(27)23-16-9-11-17(30-2)12-10-16/h5,7-14,19,24H,3-4,6H2,1-2H3,(H,23,27)(H,25,26)/b7-5+/t19-/m0/s1