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

Systemtic Name: ethyl 2-[2-[2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(3-cyano-6-ethoxy-2-quinolyl)thio]acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=NC(=CS3)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=NC(=CS3)CC(=O)OCC

InChI

InChI=1S/C21H20N4O4S2/c1-3-28-16-5-6-17-13(8-16)7-14(10-22)20(24-17)30-12-18(26)25-21-23-15(11-31-21)9-19(27)29-4-2/h5-8,11H,3-4,9,12H2,1-2H3,(H,23,25,26)