1,3-benzothiazol-2-ylmethyl 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H22N2O4S2 MolecularWeight: 478.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N2O4S2/c28-25(31-17-24-26-21-12-6-7-13-23(21)32-24)16-22-20-11-5-4-8-18(20)14-15-27(22)33(29,30)19-9-2-1-3-10-19/h1-13,22H,14-17H2