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

Systemtic Name: methyl 3-(6-methylsulfonyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(6-methylsulfonyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-methylsulfonyl-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(6-methylsulfonyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-mesyl-2-valerylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S2/c1-4-5-6-15(20)18-17-19(10-9-16(21)24-2)13-8-7-12(26(3,22)23)11-14(13)25-17/h7-8,11H,4-6,9-10H2,1-3H3