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

Systemtic Name: 1-[2-(4-ethoxyphenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(4-ethoxyphenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(4-ethoxyphenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-(p-phenetylthio)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C20H21NO4S/c1-2-25-14-8-10-15(11-9-14)26-13-19(22)21-12-4-6-16-17(20(23)24)5-3-7-18(16)21/h3,5,7-11H,2,4,6,12-13H2,1H3,(H,23,24)