methyl 2-[2-[2-(4-ethylsulfonylphenyl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(4-ethylsulfonylphenyl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-ethylsulfonylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-ethylsulfonylphenyl)-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-ethylsulfonylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-esylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19N3O7S2 MolecularWeight: 477.51076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7S2/c1-3-32(28,29)15-7-4-13(5-8-15)10-18(24)21-20-22(12-19(25)30-2)16-11-14(23(26)27)6-9-17(16)31-20/h4-9,11H,3,10,12H2,1-2H3