methyl 2-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-bromo-2-thiophenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-bromothiophene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C15H10BrN3O5S2 MolecularWeight: 456.291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C15H10BrN3O5S2/c1-24-13(20)7-18-9-3-2-8(19(22)23)6-11(9)26-15(18)17-14(21)10-4-5-12(16)25-10/h2-6H,7H2,1H3