methyl 2-[2-(dimethylaminomethyl)-3-oxidanylidene-3-(4-phenylmethoxyphenyl)propyl]sulfanylbenzoate chloride

Systemtic Name: methyl 2-[2-(dimethylaminomethyl)-3-oxidanylidene-3-(4-phenylmethoxyphenyl)propyl]sulfanylbenzoate chloride Openeye Name: methyl 2-[3-(4-benzyloxyphenyl)-2-(dimethylaminomethyl)-3-oxo-propyl]sulfanylbenzoate chloride CAS Name: 2-[[2-(dimethylaminomethyl)-3-oxo-3-(4-phenylmethoxyphenyl)propyl]thio]benzoic acid methyl ester chloride IUPAC Name: methyl 2-[2-(dimethylaminomethyl)-3-oxo-3-(4-phenylmethoxyphenyl)propyl]sulfanylbenzoate chloride Traditional Name: 2-[[3-(4-benzoxyphenyl)-2-(dimethylaminomethyl)-3-keto-propyl]thio]benzoic acid methyl ester chloride Formula: C27H29ClNO4S- MolecularWeight: 499.04146

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CSC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CN(C)CC(CSC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C27H29NO4S.ClH/c1-28(2)17-22(19-33-25-12-8-7-11-24(25)27(30)31-3)26(29)21-13-15-23(16-14-21)32-18-20-9-5-4-6-10-20;/h4-16,22H,17-19H2,1-3H3;1H/p-1