1-methyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-methyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid Openeye Name: 1-methyl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid CAS Name: 1-methyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid IUPAC Name: 1-methyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid Traditional Name: 1-methyl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=S)N1)C(=O)O

Isomeric SMILES

CC1=C2CCCCC2=C(C(=S)N1)C(=O)O

InChI

InChI=1S/C11H13NO2S/c1-6-7-4-2-3-5-8(7)9(11(13)14)10(15)12-6/h2-5H2,1H3,(H,12,15)(H,13,14)