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

Systemtic Name: methyl 3-[2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

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