ethyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-chlorophenyl)thio]-1-oxobutyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-chlorophenyl)thio]butanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H20ClN3O5S2 MolecularWeight: 493.9836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O5S2/c1-2-30-20(27)13-24-17-10-7-15(25(28)29)12-18(17)32-21(24)23-19(26)4-3-11-31-16-8-5-14(22)6-9-16/h5-10,12H,2-4,11,13H2,1H3