methyl 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=C(OC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=C(OC=C3)C(=O)OC

InChI

InChI=1S/C17H17N3O4S2/c1-22-13-5-3-11(4-6-13)9-18-16-19-20-17(26-16)25-10-12-7-8-24-14(12)15(21)23-2/h3-8H,9-10H2,1-2H3,(H,18,19)