methyl 4-[[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C13H14N4O3S2 MolecularWeight: 338.40526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C13H14N4O3S2/c1-20-11(19)9-4-2-8(3-5-9)6-15-10(18)7-21-13-17-16-12(14)22-13/h2-5H,6-7H2,1H3,(H2,14,16)(H,15,18)