3-bromanyl-1,1,1-tris(fluoranyl)-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]but-3-en-2-one

Systemtic Name: 3-bromanyl-1,1,1-tris(fluoranyl)-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]but-3-en-2-one Openeye Name: 3-bromo-1,1,1-trifluoro-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]but-3-en-2-one CAS Name: 3-bromo-1,1,1-trifluoro-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-buten-2-one IUPAC Name: 3-bromo-1,1,1-trifluoro-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]but-3-en-2-one Traditional Name: 3-bromo-1,1,1-trifluoro-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]but-3-en-2-one Formula: C12H8BrF3N2O2S MolecularWeight: 381.16833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC=C(C(=O)C(F)(F)F)Br

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC=C(C(=O)C(F)(F)F)Br

InChI

InChI=1S/C12H8BrF3N2O2S/c1-20-6-2-3-8-9(4-6)21-11(18-8)17-5-7(13)10(19)12(14,15)16/h2-5H,1H3,(H,17,18)