methyl 2-[[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[5-[(8-oxidanylquinolin-7-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-3-phenyl-propanoate CAS Name: 2-[[5-[[(8-hydroxy-7-quinolinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-3-phenylpropanoate Traditional Name: 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC2=NN=C(S2)NC(=O)C3=C(C4=C(C=CC=N4)C=C3)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC2=NN=C(S2)NC(=O)C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C22H19N5O4S/c1-31-20(30)16(12-13-6-3-2-4-7-13)24-21-26-27-22(32-21)25-19(29)15-10-9-14-8-5-11-23-17(14)18(15)28/h2-11,16,28H,12H2,1H3,(H,24,26)(H,25,27,29)