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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-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 (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-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 (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H20N4O5S2/c28-21(32-15-26-23(29)18-8-3-4-9-19(18)24-25-26)14-20-17-7-2-1-6-16(17)11-12-27(20)34(30,31)22-10-5-13-33-22/h1-10,13,20H,11-12,14-15H2