methyl 2-[2-(2-methylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-methylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-methylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-(2-methyl-1-oxopropyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(2-isobutyrylimino-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S2/c1-9(2)14(19)16-15-17(8-13(18)22-3)11-6-5-10(24(4,20)21)7-12(11)23-15/h5-7,9H,8H2,1-4H3