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

Systemtic Name: ethyl 3-[2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(6-methoxy-2-methyl-4-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(6-methoxy-2-methyl-4-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC(=NC3=C2C=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC(=NC3=C2C=C(C=C3)OC)C

InChI

InChI=1S/C22H22N2O4S/c1-4-28-22(26)15-6-5-7-16(11-15)24-21(25)13-29-20-10-14(2)23-19-9-8-17(27-3)12-18(19)20/h5-12H,4,13H2,1-3H3,(H,24,25)