(Z)-4-(azidomethyl)-6-[6-methoxy-4-oxidanyl-3-oxidanylidene-7-(2-sulfanylethylsulfanylmethyl)-1H-2-benzofuran-5-yl]hex-4-enoic acid

Systemtic Name: (Z)-4-(azidomethyl)-6-[6-methoxy-4-oxidanyl-3-oxidanylidene-7-(2-sulfanylethylsulfanylmethyl)-1H-2-benzofuran-5-yl]hex-4-enoic acid Openeye Name: (Z)-4-(azidomethyl)-6-[4-hydroxy-6-methoxy-3-oxo-7-(2-sulfanylethylsulfanylmethyl)-1H-isobenzofuran-5-yl]hex-4-enoic acid CAS Name: (Z)-4-(azidomethyl)-6-[4-hydroxy-7-[(2-mercaptoethylthio)methyl]-6-methoxy-3-oxo-1H-isobenzofuran-5-yl]-4-hexenoic acid IUPAC Name: (Z)-4-(azidomethyl)-6-[4-hydroxy-6-methoxy-3-oxo-7-(2-sulfanylethylsulfanylmethyl)-1H-2-benzofuran-5-yl]hex-4-enoic acid Traditional Name: (Z)-4-(azidomethyl)-6-[4-hydroxy-3-keto-7-[(2-mercaptoethylthio)methyl]-6-methoxy-phthalan-5-yl]hex-4-enoic acid Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1CC=C(CCC(=O)O)CN=[N+]=[N-])O)C(=O)OC2)CSCCS

Isomeric SMILES

COC1=C(C2=C(C(=C1C/C=C(/CCC(=O)O)\CN=[N+]=[N-])O)C(=O)OC2)CSCCS

InChI

InChI=1S/C19H23N3O6S2/c1-27-18-12(4-2-11(8-21-22-20)3-5-15(23)24)17(25)16-13(9-28-19(16)26)14(18)10-30-7-6-29/h2,25,29H,3-10H2,1H3,(H,23,24)/b11-2-