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

Systemtic Name: methyl 2-[2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-cyano-6-ethoxy-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H19N3O4S/c1-3-29-16-8-9-18-14(11-16)10-15(12-23)21(25-18)30-13-20(26)24-19-7-5-4-6-17(19)22(27)28-2/h4-11H,3,13H2,1-2H3,(H,24,26)