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

Systemtic Name: methyl 4-[[5-[(2-methylquinolin-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(2-methylquinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(2-methyl-4-quinolinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-methylquinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(2-methylquinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H18N4O3S2/c1-13-11-17(16-5-3-4-6-18(16)23-13)19(27)24-21-25-26-22(31-21)30-12-14-7-9-15(10-8-14)20(28)29-2/h3-11H,12H2,1-2H3,(H,24,25,27)