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

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

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

Isomeric SMILES

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

InChI

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