6-bromanyl-3-ethoxycarbonyl-4-(morpholin-4-ylmethyl)-2-(phenylsulfanylmethyl)-1-benzofuran-5-olate

Systemtic Name: 6-bromanyl-3-ethoxycarbonyl-4-(morpholin-4-ylmethyl)-2-(phenylsulfanylmethyl)-1-benzofuran-5-olate Openeye Name: 6-bromo-3-ethoxycarbonyl-4-(morpholinomethyl)-2-(phenylsulfanylmethyl)benzofuran-5-olate CAS Name: 6-bromo-3-ethoxycarbonyl-4-(4-morpholinylmethyl)-2-[(phenylthio)methyl]-5-benzofuranolate IUPAC Name: 6-bromo-3-ethoxycarbonyl-4-(morpholin-4-ylmethyl)-2-(phenylsulfanylmethyl)-1-benzofuran-5-olate Traditional Name: 6-bromo-3-carbethoxy-4-(morpholinomethyl)-2-[(phenylthio)methyl]benzofuran-5-olate Formula: C23H23BrNO5S- MolecularWeight: 505.40142

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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/p-1