methyl 4-[2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-5,7-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=CC(=C2C=C(C(=NC2=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C#N)C

InChI

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