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

Systemtic Name: methyl 2-[2-(2-methylpropanoylimino)benzo[g][1,3]benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-methylpropanoylimino)benzo[g][1,3]benzothiazol-3-yl]acetate CAS Name: 2-[2-(2-methyl-1-oxopropyl)imino-3-benzo[g][1,3]benzothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylpropanoylimino)benzo[g][1,3]benzothiazol-3-yl]acetate Traditional Name: 2-(2-isobutyryliminobenzo[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:

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

Isomeric SMILES

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

InChI

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