[2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-20(2,3)22-18(23)12-25-19(24)15-6-4-5-14(11-15)13-26-17-9-7-16(21)8-10-17/h4-11H,12-13H2,1-3H3,(H,22,23)