(4-methylsulfanylphenyl)methyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [4-(methylthio)benzyl] ester Formula: C18H19BrO4S MolecularWeight: 411.31006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)SC)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)SC)Br)OC

InChI

InChI=1S/C18H19BrO4S/c1-4-22-16-10-13(9-15(19)17(16)21-2)18(20)23-11-12-5-7-14(24-3)8-6-12/h5-10H,4,11H2,1-3H3