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

Systemtic Name: methyl 3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NN=C(S2)NCC=C

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NN=C(S2)NCC=C

InChI

InChI=1S/C12H13N3O3S2/c1-3-5-13-11-14-15-12(20-11)19-7-8-4-6-18-9(8)10(16)17-2/h3-4,6H,1,5,7H2,2H3,(H,13,14)