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

Systemtic Name: methyl 4-[[5-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[2-(methylthio)nicotinoyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H16N4O3S3 MolecularWeight: 432.53964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C18H16N4O3S3/c1-25-16(24)12-7-5-11(6-8-12)10-27-18-22-21-17(28-18)20-14(23)13-4-3-9-19-15(13)26-2/h3-9H,10H2,1-2H3,(H,20,21,23)