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6-methoxy-2-(2-methyl-3-sulfanyl-propanoyl)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

6-methoxy-2-(2-methyl-3-sulfanyl-propanoyl)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name:6-methoxy-2-(2-methyl-3-sulfanyl-propanoyl)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Openeye Name:7-hydroxy-6-methoxy-2-(2-methyl-3-sulfanyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CAS Name:7-hydroxy-2-(3-mercapto-2-methyl-1-oxopropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
IUPAC Name:7-hydroxy-6-methoxy-2-(2-methyl-3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Traditional Name:7-hydroxy-2-(3-mercapto-2-methyl-propanoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Formula: C15H19NO5S
MolecularWeight: 325.38006
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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC2=CC(=C(C=C2CC1C(=O)O)OC)O


Isomeric SMILES

CC(CS)C(=O)N1CC2=CC(=C(C=C2CC1C(=O)O)OC)O


InChI

InChI=1S/C15H19NO5S/c1-8(7-22)14(18)16-6-10-4-12(17)13(21-2)5-9(10)3-11(16)15(19)20/h4-5,8,11,17,22H,3,6-7H2,1-2H3,(H,19,20)


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