[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C19H20ClNO5S/c1-24-15-9-13(10-16(11-15)25-2)19(23)26-12-18(22)21-7-8-27-17-5-3-14(20)4-6-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,22)