1-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(3,4-dimethylphenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(3,4-dimethylphenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[(3,4-dimethylphenyl)thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)C

InChI

InChI=1S/C20H21NO3S/c1-13-8-9-15(11-14(13)2)25-12-19(22)21-10-4-6-16-17(20(23)24)5-3-7-18(16)21/h3,5,7-9,11H,4,6,10,12H2,1-2H3,(H,23,24)