2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]butanoate

Systemtic Name: 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]butanoate Openeye Name: 2-[4-[(4-bromo-2-fluoro-phenyl)methyl]-3-thioxo-1,4-benzothiazin-2-yl]butanoate CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]butanoate IUPAC Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-3-sulfanylidene-1,4-benzothiazin-2-yl]butanoate Traditional Name: 2-[4-(4-bromo-2-fluoro-benzyl)-3-thioxo-1,4-benzothiazin-2-yl]butyrate Formula: C19H16BrFNO2S2- MolecularWeight: 453.368243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(=S)N(C2=CC=CC=C2S1)CC3=C(C=C(C=C3)Br)F)C(=O)[O-]

Isomeric SMILES

CCC(C1C(=S)N(C2=CC=CC=C2S1)CC3=C(C=C(C=C3)Br)F)C(=O)[O-]

InChI

InChI=1S/C19H17BrFNO2S2/c1-2-13(19(23)24)17-18(25)22(15-5-3-4-6-16(15)26-17)10-11-7-8-12(20)9-14(11)21/h3-9,13,17H,2,10H2,1H3,(H,23,24)/p-1