methyl 2-(2-pentanoyliminobenzo[g][1,3]benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(2-pentanoyliminobenzo[g][1,3]benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(2-pentanoyliminobenzo[g][1,3]benzothiazol-3-yl)acetate CAS Name: 2-[2-(1-oxopentylimino)-3-benzo[g][1,3]benzothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-pentanoyliminobenzo[g][1,3]benzothiazol-3-yl)acetate Traditional Name: 2-(2-valeryliminobenzo[g][1,3]benzothiazol-3-yl)acetic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C3=CC=CC=C3C=C2)CC(=O)OC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C3=CC=CC=C3C=C2)CC(=O)OC

InChI

InChI=1S/C19H20N2O3S/c1-3-4-9-16(22)20-19-21(12-17(23)24-2)15-11-10-13-7-5-6-8-14(13)18(15)25-19/h5-8,10-11H,3-4,9,12H2,1-2H3