(3S)-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(4-methylthiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(4-methyl-2-thiazolyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-(4-methylthiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CC1=CSC(=N1)N2CC3=CC=CC=C3C[C@H]2C(=O)O

InChI

InChI=1S/C14H14N2O2S/c1-9-8-19-14(15-9)16-7-11-5-3-2-4-10(11)6-12(16)13(17)18/h2-5,8,12H,6-7H2,1H3,(H,17,18)/t12-/m0/s1