1,3-benzothiazol-2-ylmethyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H20N2O4S3 MolecularWeight: 484.6109

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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=CS5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H20N2O4S3/c26-22(29-15-21-24-18-8-3-4-9-20(18)31-21)14-19-17-7-2-1-6-16(17)11-12-25(19)32(27,28)23-10-5-13-30-23/h1-10,13,19H,11-12,14-15H2