methyl 3-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-nitro-2-(1-oxopropylimino)-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-nitro-2-propionylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCC(=O)OC

Isomeric SMILES

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCC(=O)OC

InChI

InChI=1S/C14H15N3O5S/c1-3-12(18)15-14-16(7-6-13(19)22-2)10-5-4-9(17(20)21)8-11(10)23-14/h4-5,8H,3,6-7H2,1-2H3