3-[(4-ethoxyphenyl)methyl]-2-methyl-4-sulfanylidene-1H-quinoline-6-carboxylic acid

Systemtic Name: 3-[(4-ethoxyphenyl)methyl]-2-methyl-4-sulfanylidene-1H-quinoline-6-carboxylic acid Openeye Name: 3-[(4-ethoxyphenyl)methyl]-2-methyl-4-thioxo-1H-quinoline-6-carboxylic acid CAS Name: 3-[(4-ethoxyphenyl)methyl]-2-methyl-4-sulfanylidene-1H-quinoline-6-carboxylic acid IUPAC Name: 3-[(4-ethoxyphenyl)methyl]-2-methyl-4-sulfanylidene-1H-quinoline-6-carboxylic acid Traditional Name: 3-(4-ethoxybenzyl)-2-methyl-4-thioxo-1H-quinoline-6-carboxylic acid Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=C(NC3=C(C2=S)C=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(NC3=C(C2=S)C=C(C=C3)C(=O)O)C

InChI

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