methyl 4-[2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-6-ethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-6-ethyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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