ethyl 3-[2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(3-cyano-7,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(3-cyano-7,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-cyano-7,8-dimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3C)C)C=C2C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3C)C)C=C2C#N

InChI

InChI=1S/C23H21N3O3S/c1-4-29-23(28)17-6-5-7-19(11-17)25-20(27)13-30-22-18(12-24)10-16-9-8-14(2)15(3)21(16)26-22/h5-11H,4,13H2,1-3H3,(H,25,27)