methyl 2-[4,6-bis(fluoranyl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4,6-bis(fluoranyl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4,6-difluoro-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,6-difluoro-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4,6-difluoro-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,6-difluoro-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H11F2N3O5S2 MolecularWeight: 463.434546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F)F

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F)F

InChI

InChI=1S/C19H11F2N3O5S2/c1-29-16(25)8-23-17-12(21)6-10(20)7-14(17)31-19(23)22-18(26)15-5-9-4-11(24(27)28)2-3-13(9)30-15/h2-7H,8H2,1H3