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

Systemtic Name: methyl 4-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(8-methoxy-4-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-13-11-19(23-20-16(13)5-4-6-17(20)26-2)28-12-18(24)22-15-9-7-14(8-10-15)21(25)27-3/h4-11H,12H2,1-3H3,(H,22,24)