[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C22H25NO4S/c1-4-16-9-8-10-17(5-2)21(16)23-20(25)13-27-22(26)18-11-6-7-12-19(18)28-14-15(3)24/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)