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

Systemtic Name: methyl 2-(2-butanoylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(2-butanoylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-methylsulfonyl-2-(1-oxobutylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(2-butanoylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-butyrylimino-6-mesyl-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C15H18N2O5S2 MolecularWeight: 370.44382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S2/c1-4-5-13(18)16-15-17(9-14(19)22-2)11-7-6-10(24(3,20)21)8-12(11)23-15/h6-8H,4-5,9H2,1-3H3