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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCCCSCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-2-3-8-21-11-15(18)17-10-13-7-5-4-6-12(13)9-14(17)16(19)20/h4-7,14H,2-3,8-11H2,1H3,(H,19,20)