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

Systemtic Name: methyl 4-[2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[5-(2-quinolinyl)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H16N4O3S2/c1-28-20(27)14-6-9-15(10-7-14)22-18(26)12-29-21-25-24-19(30-21)17-11-8-13-4-2-3-5-16(13)23-17/h2-11H,12H2,1H3,(H,22,26)