ethyl 6-bromanyl-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-[(phenylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C18H15BrO4S MolecularWeight: 407.2783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)Br)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)Br)CSC3=CC=CC=C3

InChI

InChI=1S/C18H15BrO4S/c1-2-22-18(21)17-12-8-14(20)13(19)9-15(12)23-16(17)10-24-11-6-4-3-5-7-11/h3-9,20H,2,10H2,1H3