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

Systemtic Name: ethyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-nitro-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S2/c1-3-30-21(27)14-24-18-13-16(25(28)29)8-11-19(18)32-22(24)23-20(26)5-4-12-31-17-9-6-15(2)7-10-17/h6-11,13H,3-5,12,14H2,1-2H3