(3S)-2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(4-methylthiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(4-methyl-5-thiazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(4-methyl-1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(4-methylthiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H13N2O3S- MolecularWeight: 301.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c1-9-13(21-8-16-9)14(18)17-7-11-5-3-2-4-10(11)6-12(17)15(19)20/h2-5,8,12H,6-7H2,1H3,(H,19,20)/p-1/t12-/m0/s1