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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-phenylmethoxyphenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-benzyloxyphenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-phenylmethoxyphenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-phenylmethoxyphenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-benzoxyphenyl)pent-4-enoate Formula: C25H20NO3S- MolecularWeight: 414.4962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C=C(CCC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C(\CCC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H21NO3S/c27-24(28)14-13-20(25-26-22-11-4-5-12-23(22)30-25)15-19-9-6-10-21(16-19)29-17-18-7-2-1-3-8-18/h1-12,15-16H,13-14,17H2,(H,27,28)/p-1/b20-15+