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

Systemtic Name: methyl 2-[(4-acetamidophenyl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4-acetamidophenyl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(4-acetamidophenyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-acetamidophenyl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(4-acetamidophenyl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=CC=C(C=C3)NC(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=CC=C(C=C3)NC(=O)C)C(=O)OC

InChI

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