methyl 2-[2-(3-cyano-8-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3-cyano-8-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(3-cyano-8-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-cyano-8-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-cyano-8-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H17N3O3S/c1-13-6-5-7-14-10-15(11-22)20(24-19(13)14)28-12-18(25)23-17-9-4-3-8-16(17)21(26)27-2/h3-10H,12H2,1-2H3,(H,23,25)