(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: (2-anilinothiazol-4-yl)methyl 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 (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 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 (2-anilinothiazol-4-yl)methyl ester Formula: C25H23N3O4S3 MolecularWeight: 525.66282

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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=CS5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H23N3O4S3/c29-23(32-16-20-17-34-25(27-20)26-19-8-2-1-3-9-19)15-22-21-10-5-4-7-18(21)12-13-28(22)35(30,31)24-11-6-14-33-24/h1-11,14,17,22H,12-13,15-16H2,(H,26,27)