methyl 2-(1,3-benzothiazol-6-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-(1,3-benzothiazol-6-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(1,3-benzothiazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[1,3-benzothiazol-6-yl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H16N2O3S/c1-24-19(23)15-4-2-3-13-10-21(8-7-14(13)15)18(22)12-5-6-16-17(9-12)25-11-20-16/h2-6,9,11H,7-8,10H2,1H3