(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-anilinothiazol-4-yl)methyl 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 (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 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 (2-anilinothiazol-4-yl)methyl ester Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S2/c31-26(34-18-22-19-35-27(29-22)28-21-10-3-1-4-11-21)17-25-24-14-8-7-9-20(24)15-16-30(25)36(32,33)23-12-5-2-6-13-23/h1-14,19,25H,15-18H2,(H,28,29)