ethyl 4-[2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-7-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C)C=C2C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C)C=C2C#N

InChI

InChI=1S/C22H19N3O3S/c1-3-28-22(27)15-6-8-18(9-7-15)24-20(26)13-29-21-17(12-23)11-16-5-4-14(2)10-19(16)25-21/h4-11H,3,13H2,1-2H3,(H,24,26)