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

Systemtic Name: (3S)-2-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(4-methylthiadiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(4-methyl-5-thiadiazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(4-methylthiadiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(4-methylthiadiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C14H12N3O3S- MolecularWeight: 302.32838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S/c1-8-12(21-16-15-8)13(18)17-7-10-5-3-2-4-9(10)6-11(17)14(19)20/h2-5,11H,6-7H2,1H3,(H,19,20)/p-1/t11-/m0/s1