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

Systemtic Name: methyl 4-[[5-[(2-oxidanylidene-1H-quinolin-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(2-oxo-1H-quinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[oxo-(2-oxo-1H-quinolin-4-yl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-oxo-1H-quinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(2-keto-1H-quinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H16N4O4S2 MolecularWeight: 452.50614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H16N4O4S2/c1-29-19(28)13-8-6-12(7-9-13)11-30-21-25-24-20(31-21)23-18(27)15-10-17(26)22-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,22,26)(H,23,24,27)