methyl 4-[2-(3,6-dimethylquinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3,6-dimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3,6-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3,6-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,6-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3,6-dimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H20N2O3S/c1-13-4-9-18-16(10-13)11-14(2)20(23-18)27-12-19(24)22-17-7-5-15(6-8-17)21(25)26-3/h4-11H,12H2,1-3H3,(H,22,24)