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

Systemtic Name: methyl 2-(2-butanoyliminobenzo[g][1,3]benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(2-butanoyliminobenzo[g][1,3]benzothiazol-3-yl)acetate CAS Name: 2-[2-(1-oxobutylimino)-3-benzo[g][1,3]benzothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-butanoyliminobenzo[g][1,3]benzothiazol-3-yl)acetate Traditional Name: 2-(2-butyryliminobenzo[g][1,3]benzothiazol-3-yl)acetic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-3-6-15(21)19-18-20(11-16(22)23-2)14-10-9-12-7-4-5-8-13(12)17(14)24-18/h4-5,7-10H,3,6,11H2,1-2H3