ethyl 2-[4-[(5-fluoranyl-1,3-benzothiazol-2-yl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(5-fluoranyl-1,3-benzothiazol-2-yl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-thioxo-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-thioxo-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C20H17FN2O2S3 MolecularWeight: 432.554583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=S)N(C2=CC=CC=C2S1)CC3=NC4=C(S3)C=CC(=C4)F

Isomeric SMILES

CCOC(=O)CC1C(=S)N(C2=CC=CC=C2S1)CC3=NC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C20H17FN2O2S3/c1-2-25-19(24)10-17-20(26)23(14-5-3-4-6-16(14)27-17)11-18-22-13-9-12(21)7-8-15(13)28-18/h3-9,17H,2,10-11H2,1H3