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

Systemtic Name: ethyl 4-[2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-6-ethoxy-2-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H21N3O4S/c1-3-29-19-9-10-20-16(12-19)11-17(13-24)22(26-20)31-14-21(27)25-18-7-5-15(6-8-18)23(28)30-4-2/h5-12H,3-4,14H2,1-2H3,(H,25,27)