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

Systemtic Name: 2-[4-[(5-fluoranyl-1,3-benzothiazol-2-yl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-thioxo-1,4-benzothiazin-2-yl]acetic acid CAS Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]acetic acid IUPAC Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]acetic acid Traditional Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-thioxo-1,4-benzothiazin-2-yl]acetic acid Formula: C18H13FN2O2S3 MolecularWeight: 404.501423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)C(S2)CC(=O)O)CC3=NC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)C(S2)CC(=O)O)CC3=NC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C18H13FN2O2S3/c19-10-5-6-13-11(7-10)20-16(26-13)9-21-12-3-1-2-4-14(12)25-15(18(21)24)8-17(22)23/h1-7,15H,8-9H2,(H,22,23)