ethyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-methoxyphenyl)thio]-1-oxobutyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-methoxyphenyl)thio]butanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S2/c1-3-31-21(27)14-24-18-13-15(25(28)29)6-11-19(18)33-22(24)23-20(26)5-4-12-32-17-9-7-16(30-2)8-10-17/h6-11,13H,3-5,12,14H2,1-2H3