methyl 3-(2-ethanoylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(2-ethanoylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(2-acetylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-acetylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-acetylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-acetylimino-6-mesyl-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C14H16N2O5S2 MolecularWeight: 356.41724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S2/c1-9(17)15-14-16(7-6-13(18)21-2)11-5-4-10(23(3,19)20)8-12(11)22-14/h4-5,8H,6-7H2,1-3H3