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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-phenylmethoxyphenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-benzyloxyphenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-phenylmethoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-phenylmethoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-benzoxyphenyl)pent-4-enoic acid Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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