methyl 4-[2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-cyano-7,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-7,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-7,8-dimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C#N)C

InChI

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