(E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromanylthiophen-2-yl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromanylthiophen-2-yl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-thienyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-thiophenyl)-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromothiophen-2-yl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-thienyl)hex-5-enoate Formula: C17H13BrNO2S2- MolecularWeight: 407.32462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(S3)Br)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(S3)Br)/CCCC(=O)[O-]

InChI

InChI=1S/C17H14BrNO2S2/c18-15-9-8-12(22-15)10-11(4-3-7-16(20)21)17-19-13-5-1-2-6-14(13)23-17/h1-2,5-6,8-10H,3-4,7H2,(H,20,21)/p-1/b11-10+