ethyl 2-[(4-acetamidophenyl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-acetamidophenyl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-acetamidophenyl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(4-acetamidophenyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetamidophenyl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(4-acetamidophenyl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C22H22N2O3S/c1-4-27-22(26)21-14(2)18-7-5-6-8-19(18)24-20(21)13-28-17-11-9-16(10-12-17)23-15(3)25/h5-12H,4,13H2,1-3H3,(H,23,25)