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

Systemtic Name: ethyl 3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C17H19N3O3S2/c1-3-9-18-16-19-20-17(25-16)24-10-12-11-7-5-6-8-13(11)23-14(12)15(21)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)