methyl 2-(dimethylcarbamothioylsulfanyl)-2-(4-methoxy-3-phenylmethoxy-phenyl)ethanoate

Systemtic Name: methyl 2-(dimethylcarbamothioylsulfanyl)-2-(4-methoxy-3-phenylmethoxy-phenyl)ethanoate Openeye Name: methyl 2-(3-benzyloxy-4-methoxy-phenyl)-2-(dimethylcarbamothioylsulfanyl)acetate CAS Name: 2-[[dimethylamino(sulfanylidene)methyl]thio]-2-(4-methoxy-3-phenylmethoxyphenyl)acetic acid methyl ester IUPAC Name: methyl 2-(dimethylcarbamothioylsulfanyl)-2-(4-methoxy-3-phenylmethoxyphenyl)acetate Traditional Name: 2-(3-benzoxy-4-methoxy-phenyl)-2-(dimethylthiocarbamoylthio)acetic acid methyl ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SC(C1=CC(=C(C=C1)OC)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN(C)C(=S)SC(C1=CC(=C(C=C1)OC)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H23NO4S2/c1-21(2)20(26)27-18(19(22)24-4)15-10-11-16(23-3)17(12-15)25-13-14-8-6-5-7-9-14/h5-12,18H,13H2,1-4H3