ethyl 2-[[5-[(2-phenylquinolin-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(2-phenylquinolin-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(2-phenylquinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-phenylquinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-phenylquinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

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