(4-oxidanylidene-1,2,3-benzotriazin-3-yl) 2-[2-(3,5-dimethoxyphenyl)propan-2-ylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl) 2-[2-(3,5-dimethoxyphenyl)propan-2-ylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl) 2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[2-(3,5-dimethoxyphenyl)propan-2-ylamino]-4-(methylthio)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl) ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl) 2-[2-(3,5-dimethoxyphenyl)propan-2-ylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethyl]amino]-4-(methylthio)butyric acid (4-keto-1,2,3-benzotriazin-3-yl) ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=CC(=C1)OC)OC)NC(CCSC)C(=O)ON2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C1=CC(=CC(=C1)OC)OC)NC(CCSC)C(=O)ON2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C23H28N4O5S/c1-23(2,15-12-16(30-3)14-17(13-15)31-4)24-20(10-11-33-5)22(29)32-27-21(28)18-8-6-7-9-19(18)25-26-27/h6-9,12-14,20,24H,10-11H2,1-5H3