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

Systemtic Name: methyl 3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C14H15N3O2S2 MolecularWeight: 321.4178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2S2/c1-3-7-15-13-16-17-14(21-13)20-9-10-5-4-6-11(8-10)12(18)19-2/h3-6,8H,1,7,9H2,2H3,(H,15,16)