[1-ethoxycarbothioylsulfanyl-4-oxidanylidene-4-(2-phenylmethoxyphenyl)butyl] 2,2-dimethylpropanoate

Systemtic Name: [1-ethoxycarbothioylsulfanyl-4-oxidanylidene-4-(2-phenylmethoxyphenyl)butyl] 2,2-dimethylpropanoate Openeye Name: [4-(2-benzyloxyphenyl)-1-ethoxycarbothioylsulfanyl-4-oxo-butyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-[[ethoxy(sulfanylidene)methyl]thio]-4-oxo-4-(2-phenylmethoxyphenyl)butyl] ester IUPAC Name: [1-ethoxycarbothioylsulfanyl-4-oxo-4-(2-phenylmethoxyphenyl)butyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(2-benzoxyphenyl)-1-(ethoxycarbothioylthio)-4-keto-butyl] ester Formula: C25H30O5S2 MolecularWeight: 474.6327

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C1=CC=CC=C1OCC2=CC=CC=C2)OC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=S)SC(CCC(=O)C1=CC=CC=C1OCC2=CC=CC=C2)OC(=O)C(C)(C)C

InChI

InChI=1S/C25H30O5S2/c1-5-28-24(31)32-22(30-23(27)25(2,3)4)16-15-20(26)19-13-9-10-14-21(19)29-17-18-11-7-6-8-12-18/h6-14,22H,5,15-17H2,1-4H3