(E)-4-(1,3-benzothiazol-2-yl)-5-(4-bromanylthiophen-2-yl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-bromanylthiophen-2-yl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-bromo-2-thienyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-bromo-2-thiophenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-bromothiophen-2-yl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-bromo-2-thienyl)pent-4-enoate Formula: C16H11BrNO2S2- MolecularWeight: 393.29804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=CS3)Br)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=CS3)Br)/CCC(=O)[O-]

InChI

InChI=1S/C16H12BrNO2S2/c17-11-8-12(21-9-11)7-10(5-6-15(19)20)16-18-13-3-1-2-4-14(13)22-16/h1-4,7-9H,5-6H2,(H,19,20)/p-1/b10-7+