methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-[(4-methoxyphenyl)thio]propanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19N3O6S2 MolecularWeight: 461.51136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C20H19N3O6S2/c1-28-14-4-6-15(7-5-14)30-10-9-18(24)21-20-22(12-19(25)29-2)16-8-3-13(23(26)27)11-17(16)31-20/h3-8,11H,9-10,12H2,1-2H3