methyl 3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]propionic acid methyl ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NN=C(S1)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC1=NN=C(S1)NCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S2/c1-18-11(17)7-8-19-13-16-15-12(20-13)14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15)