ethyl 2-[2-[2-(3-ethyl-6,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(3-ethyl-6,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-[(3-ethyl-6,7-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(3-ethyl-6,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(3-ethyl-6,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(3-ethyl-6,7-dimethyl-2-quinolyl)thio]acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(C=C2N=C1SCC(=O)NC3=NC(=CS3)CC(=O)OCC)C)C

Isomeric SMILES

CCC1=CC2=CC(=C(C=C2N=C1SCC(=O)NC3=NC(=CS3)CC(=O)OCC)C)C

InChI

InChI=1S/C22H25N3O3S2/c1-5-15-9-16-7-13(3)14(4)8-18(16)24-21(15)29-12-19(26)25-22-23-17(11-30-22)10-20(27)28-6-2/h7-9,11H,5-6,10,12H2,1-4H3,(H,23,25,26)