(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[ethyl(veratryl)amino]-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C26H33NO6S MolecularWeight: 487.60832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C26H33NO6S/c1-7-27(15-18-12-13-20(31-5)21(14-18)32-6)24(29)17-34-22-11-9-8-10-19(22)25(30)33-16-23(28)26(2,3)4/h8-14H,7,15-17H2,1-6H3