ethyl 2-[2-[2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(3-cyano-5,7-dimethyl-2-quinolyl)thio]acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC3=CC(=CC(=C3C=C2C#N)C)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC3=CC(=CC(=C3C=C2C#N)C)C

InChI

InChI=1S/C21H20N4O3S2/c1-4-28-19(27)8-15-10-30-21(23-15)25-18(26)11-29-20-14(9-22)7-16-13(3)5-12(2)6-17(16)24-20/h5-7,10H,4,8,11H2,1-3H3,(H,23,25,26)