methyl 2-[2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-cyano-7-methoxy-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-cyano-7-methoxy-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)C#N

InChI

InChI=1S/C21H17N3O4S/c1-27-15-8-7-13-9-14(11-22)20(24-18(13)10-15)29-12-19(25)23-17-6-4-3-5-16(17)21(26)28-2/h3-10H,12H2,1-2H3,(H,23,25)