(3,3-dimethyl-2-oxidanylidene-butyl) 2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[2-keto-1-methyl-2-(veratrylamino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C25H31NO6S/c1-16(23(28)26-14-17-11-12-19(30-5)20(13-17)31-6)33-21-10-8-7-9-18(21)24(29)32-15-22(27)25(2,3)4/h7-13,16H,14-15H2,1-6H3,(H,26,28)