7-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 7-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Openeye Name: 7-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one CAS Name: 7-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one IUPAC Name: 7-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Traditional Name: 7-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4,5,6-trimethoxy-phthalide Formula: C14H15N3O5S2 MolecularWeight: 369.416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(S3)N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(S3)N)OC)OC

InChI

InChI=1S/C14H15N3O5S2/c1-19-9-6-4-22-12(18)8(6)7(10(20-2)11(9)21-3)5-23-14-17-16-13(15)24-14/h4-5H2,1-3H3,(H2,15,16)