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

Systemtic Name: ethyl 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C16H17N3O3S2/c1-3-17-15-18-19-16(24-15)23-9-11-10-7-5-6-8-12(10)22-13(11)14(20)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,17,18)