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

Systemtic Name: methyl 4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(1-oxopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(5-propionamido-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H15N3O3S2/c1-3-11(18)15-13-16-17-14(22-13)21-8-9-4-6-10(7-5-9)12(19)20-2/h4-7H,3,8H2,1-2H3,(H,15,16,18)