(3S)-2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[3-(methylthio)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[3-(methylthio)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C14H16NO3S- MolecularWeight: 278.34674

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

CSCCC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)[O-]

InChI

InChI=1S/C14H17NO3S/c1-19-7-6-13(16)15-9-11-5-3-2-4-10(11)8-12(15)14(17)18/h2-5,12H,6-9H2,1H3,(H,17,18)/p-1/t12-/m0/s1