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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)OC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C25H31NO5S/c1-17(23(28)26-15-14-18-10-12-19(30-5)13-11-18)32-21-9-7-6-8-20(21)24(29)31-16-22(27)25(2,3)4/h6-13,17H,14-16H2,1-5H3,(H,26,28)