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

Systemtic Name: 3-(hydroxymethyl)-1-methyl-2-[(3-methylphenoxy)methyl]thiochromeno[4,3-b]pyrrol-4-one Openeye Name: 3-(hydroxymethyl)-1-methyl-2-[(3-methylphenoxy)methyl]thiochromeno[4,3-b]pyrrol-4-one CAS Name: 3-(hydroxymethyl)-1-methyl-2-[(3-methylphenoxy)methyl]-4-thiochromeno[4,3-b]pyrrolone IUPAC Name: 3-(hydroxymethyl)-1-methyl-2-[(3-methylphenoxy)methyl]thiochromeno[4,3-b]pyrrol-4-one Traditional Name: 1-methyl-3-methylol-2-[(3-methylphenoxy)methyl]thiochromeno[4,3-b]pyrrol-4-one Formula: C21H19NO3S MolecularWeight: 365.44546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=C(C3=C(N2C)C4=CC=CC=C4SC3=O)CO

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=C(C3=C(N2C)C4=CC=CC=C4SC3=O)CO

InChI

InChI=1S/C21H19NO3S/c1-13-6-5-7-14(10-13)25-12-17-16(11-23)19-20(22(17)2)15-8-3-4-9-18(15)26-21(19)24/h3-10,23H,11-12H2,1-2H3