[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl)C

InChI

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