(5-chloranyl-2-methoxy-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (5-chloro-2-methoxy-benzyl) ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C19H20ClNO4S/c1-21(2)18(22)12-26-17-7-5-4-6-15(17)19(23)25-11-13-10-14(20)8-9-16(13)24-3/h4-10H,11-12H2,1-3H3