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

Systemtic Name: ethyl 3-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S2/c1-2-25-18(24)17-15(14-10-6-7-11-16(14)26-17)12-27-20-23-22-19(28-20)21-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,21,22)