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

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

Systemtic Name:7-(methylsulfanylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
Openeye Name:7-(methylsulfanylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CAS Name:7-[(methylthio)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
IUPAC Name:7-(methylsulfanylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
Traditional Name:7-[(methylthio)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
Formula: C12H15NO3S
MolecularWeight: 253.3174
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Descriptors Computed from Structure

Canonical SMILES:

CSCOC1=CC2=C(CCN(C2)C(=O)O)C=C1


Isomeric SMILES

CSCOC1=CC2=C(CCN(C2)C(=O)O)C=C1


InChI

InChI=1S/C12H15NO3S/c1-17-8-16-11-3-2-9-4-5-13(12(14)15)7-10(9)6-11/h2-3,6H,4-5,7-8H2,1H3,(H,14,15)


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