2-[(4-bromanylphenoxy)methyl]-3-(hydroxymethyl)-1-methyl-thiochromeno[4,3-b]pyrrol-4-one

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-3-(hydroxymethyl)-1-methyl-thiochromeno[4,3-b]pyrrol-4-one Openeye Name: 2-[(4-bromophenoxy)methyl]-3-(hydroxymethyl)-1-methyl-thiochromeno[4,3-b]pyrrol-4-one CAS Name: 2-[(4-bromophenoxy)methyl]-3-(hydroxymethyl)-1-methyl-4-thiochromeno[4,3-b]pyrrolone IUPAC Name: 2-[(4-bromophenoxy)methyl]-3-(hydroxymethyl)-1-methylthiochromeno[4,3-b]pyrrol-4-one Traditional Name: 2-[(4-bromophenoxy)methyl]-1-methyl-3-methylol-thiochromeno[4,3-b]pyrrol-4-one Formula: C20H16BrNO3S MolecularWeight: 430.31494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C3=CC=CC=C3SC2=O)CO)COC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C(=C(C2=C1C3=CC=CC=C3SC2=O)CO)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrNO3S/c1-22-16(11-25-13-8-6-12(21)7-9-13)15(10-23)18-19(22)14-4-2-3-5-17(14)26-20(18)24/h2-9,23H,10-11H2,1H3