2-tridecanethioyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-tridecanethioyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-tridecanethioyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(1-sulfanylidenetridecyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-tridecanethioyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-tridecanethioyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H35NO2S MolecularWeight: 389.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=S)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(=S)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C23H35NO2S/c1-2-3-4-5-6-7-8-9-10-11-16-22(27)24-18-20-15-13-12-14-19(20)17-21(24)23(25)26/h12-15,21H,2-11,16-18H2,1H3,(H,25,26)