methyl 2-(2-butanoylimino-6-butyl-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(2-butanoylimino-6-butyl-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(2-butanoylimino-6-butyl-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-butyl-2-(1-oxobutylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(2-butanoylimino-6-butyl-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-butyl-2-butyrylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCC)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCC)S2)CC(=O)OC

InChI

InChI=1S/C18H24N2O3S/c1-4-6-8-13-9-10-14-15(11-13)24-18(19-16(21)7-5-2)20(14)12-17(22)23-3/h9-11H,4-8,12H2,1-3H3