[2-oxidanylidene-2-[(3-phenoxyphenyl)amino]ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(3-phenoxyphenyl)amino]ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-oxo-2-(3-phenoxyanilino)ethyl] 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-oxo-2-(3-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenoxyanilino)ethyl] 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-keto-2-(3-phenoxyanilino)ethyl] ester Formula: C29H26N2O6S2 MolecularWeight: 562.65654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C29H26N2O6S2/c32-27(30-22-9-6-12-24(18-22)37-23-10-2-1-3-11-23)20-36-28(33)19-26-25-13-5-4-8-21(25)15-16-31(26)39(34,35)29-14-7-17-38-29/h1-14,17-18,26H,15-16,19-20H2,(H,30,32)