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

Systemtic Name: ethyl 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C15H15N3O3S2 MolecularWeight: 349.4279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)NC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)NC

InChI

InChI=1S/C15H15N3O3S2/c1-3-20-13(19)12-10(9-6-4-5-7-11(9)21-12)8-22-15-18-17-14(16-2)23-15/h4-7H,3,8H2,1-2H3,(H,16,17)