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

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18ClN3O5S2 MolecularWeight: 479.95702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5S2/c1-29-19(26)12-23-16-9-6-14(24(27)28)11-17(16)31-20(23)22-18(25)3-2-10-30-15-7-4-13(21)5-8-15/h4-9,11H,2-3,10,12H2,1H3