(E)-3-(1,3-benzothiazol-2-yl)-4-(2-chloranyl-6-fluoranyl-phenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-chloranyl-6-fluoranyl-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-6-fluoro-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-6-fluorophenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-6-fluorophenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-6-fluoro-phenyl)but-3-enoate Formula: C17H10ClFNO2S- MolecularWeight: 346.783203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=C(C=CC=C3Cl)F)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=C(C=CC=C3Cl)F)/CC(=O)[O-]

InChI

InChI=1S/C17H11ClFNO2S/c18-12-4-3-5-13(19)11(12)8-10(9-16(21)22)17-20-14-6-1-2-7-15(14)23-17/h1-8H,9H2,(H,21,22)/p-1/b10-8+