(3S)-2-[2-(carboxymethylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[2-(carboxymethylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[2-(carboxymethylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[2-(carboxymethylthio)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[2-(carboxymethylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[2-(carboxymethylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CSCC(=O)O)C(=O)O

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)CSCC(=O)O)C(=O)O

InChI

InChI=1S/C14H15NO5S/c16-12(7-21-8-13(17)18)15-6-10-4-2-1-3-9(10)5-11(15)14(19)20/h1-4,11H,5-8H2,(H,17,18)(H,19,20)/t11-/m0/s1