ethyl 3-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(8-methoxy-4-methyl-2-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=NC3=C(C=CC=C3OC)C(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC=C3OC)C(=C2)C

InChI

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