1-(2-butylsulfanylethanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

Systemtic Name: 1-(2-butylsulfanylethanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid Openeye Name: 1-(2-butylsulfanylacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid CAS Name: 1-[2-(butylthio)-1-oxoethyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid IUPAC Name: 1-(2-butylsulfanylacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid Traditional Name: 1-[2-(butylthio)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N1CCCC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCSCC(=O)N1CCCC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-2-3-9-21-11-15(18)17-8-4-5-12-10-13(16(19)20)6-7-14(12)17/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,20)