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

Systemtic Name: 1-propan-2-yl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid Openeye Name: 1-isopropyl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid CAS Name: 1-propan-2-yl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid IUPAC Name: 1-propan-2-yl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid Traditional Name: 1-isopropyl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=S)N1)C(=O)O

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=S)N1)C(=O)O

InChI

InChI=1S/C13H17NO2S/c1-7(2)11-9-6-4-3-5-8(9)10(13(15)16)12(17)14-11/h7H,3-6H2,1-2H3,(H,14,17)(H,15,16)