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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H21FN2O4S2 MolecularWeight: 496.573643

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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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN2O4S2/c26-18-9-11-19(12-10-18)34(30,31)28-14-13-17-5-1-2-6-20(17)22(28)15-25(29)32-16-24-27-21-7-3-4-8-23(21)33-24/h1-12,22H,13-16H2