[2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[(3R)-3-carbomethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H18N2O5S/c1-27-21(26)17-8-13-4-2-3-5-15(13)10-23(17)19(24)11-28-20(25)14-6-7-16-18(9-14)29-12-22-16/h2-7,9,12,17H,8,10-11H2,1H3/t17-/m1/s1