methyl 3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: methyl 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]coumarilic acid methyl ester Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)N

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)N

InChI

InChI=1S/C13H11N3O3S2/c1-18-11(17)10-8(6-20-13-16-15-12(14)21-13)7-4-2-3-5-9(7)19-10/h2-5H,6H2,1H3,(H2,14,15)