ethyl 6-bromanyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-4-(morpholinomethyl)-2-(phenylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 6-bromo-5-hydroxy-4-(4-morpholinylmethyl)-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-4-(morpholin-4-ylmethyl)-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-4-(morpholinomethyl)-2-[(phenylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C23H24BrNO5S MolecularWeight: 506.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN3CCOCC3)O)Br)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN3CCOCC3)O)Br)CSC4=CC=CC=C4

InChI

InChI=1S/C23H24BrNO5S/c1-2-29-23(27)21-19(14-31-15-6-4-3-5-7-15)30-18-12-17(24)22(26)16(20(18)21)13-25-8-10-28-11-9-25/h3-7,12,26H,2,8-11,13-14H2,1H3