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

Systemtic Name: ethyl 2-(2-butanoylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S2/c1-4-6-14(19)17-16-18(10-15(20)23-5-2)12-8-7-11(25(3,21)22)9-13(12)24-16/h7-9H,4-6,10H2,1-3H3