(4-tert-butylphenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-tert-butylphenyl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (4-tert-butylbenzyl) ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C

InChI

InChI=1S/C22H27NO3S/c1-22(2,3)17-12-10-16(11-13-17)14-26-21(25)18-8-6-7-9-19(18)27-15-20(24)23(4)5/h6-13H,14-15H2,1-5H3