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

Systemtic Name: ethyl 2-[[5-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[[2-(2-thienyl)quinoline-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[[2-(2-thienyl)quinoline-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C20H16N4O3S3 MolecularWeight: 456.56104

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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=CS4

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C20H16N4O3S3/c1-2-27-17(25)11-29-20-24-23-19(30-20)22-18(26)13-10-15(16-8-5-9-28-16)21-14-7-4-3-6-12(13)14/h3-10H,2,11H2,1H3,(H,22,23,26)