(E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromanyl-2-methoxy-phenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromanyl-2-methoxy-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-methoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-methoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-methoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-methoxy-phenyl)but-3-enoate Formula: C18H13BrNO3S- MolecularWeight: 403.26972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H14BrNO3S/c1-23-15-7-6-13(19)9-11(15)8-12(10-17(21)22)18-20-14-4-2-3-5-16(14)24-18/h2-9H,10H2,1H3,(H,21,22)/p-1/b12-8+