dimethyl 3-tert-butyl-5-(phenylmethylsulfanyl)benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 3-tert-butyl-5-(phenylmethylsulfanyl)benzene-1,2-dicarboxylate Openeye Name: dimethyl 5-benzylsulfanyl-3-tert-butyl-benzene-1,2-dicarboxylate CAS Name: 3-tert-butyl-5-(phenylmethylthio)benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-benzylsulfanyl-3-tert-butylbenzene-1,2-dicarboxylate Traditional Name: 5-(benzylthio)-3-tert-butyl-benzene-1,2-dicarboxylic acid dimethyl ester Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O4S/c1-21(2,3)17-12-15(26-13-14-9-7-6-8-10-14)11-16(19(22)24-4)18(17)20(23)25-5/h6-12H,13H2,1-5H3