methyl 2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)C

InChI

InChI=1S/C20H19NO3S/c1-12-8-9-14(13(2)10-12)11-25-19-17(20(23)24-3)18(22)15-6-4-5-7-16(15)21-19/h4-10H,11H2,1-3H3,(H,21,22)