O3-butyl O1-methyl 2-(phenylcarbonyl)-5-(phenylmethylsulfanyl)benzene-1,3-dicarboxylate

Systemtic Name: O3-butyl O1-methyl 2-(phenylcarbonyl)-5-(phenylmethylsulfanyl)benzene-1,3-dicarboxylate Openeye Name: O3-butyl O1-methyl 2-benzoyl-5-benzylsulfanyl-benzene-1,3-dicarboxylate CAS Name: 2-benzoyl-5-(phenylmethylthio)benzene-1,3-dicarboxylic acid O3-butyl ester O1-methyl ester IUPAC Name: 3-O-butyl 1-O-methyl 2-benzoyl-5-benzylsulfanylbenzene-1,3-dicarboxylate Traditional Name: 2-benzoyl-5-(benzylthio)benzene-1,3-dicarboxylic acid O3-butyl ester O1-methyl ester Formula: C27H26O5S MolecularWeight: 462.55734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=CC(=C1)SCC2=CC=CC=C2)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=C(C(=CC(=C1)SCC2=CC=CC=C2)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H26O5S/c1-3-4-15-32-27(30)23-17-21(33-18-19-11-7-5-8-12-19)16-22(26(29)31-2)24(23)25(28)20-13-9-6-10-14-20/h5-14,16-17H,3-4,15,18H2,1-2H3