(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-phenylmethoxy-phenyl)but-3-enoic acid

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-phenylmethoxy-phenyl)but-3-enoic acid Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-benzyloxy-4-methoxy-phenyl)but-3-enoic acid CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-butenoic acid IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-phenylmethoxyphenyl)but-3-enoic acid Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-benzoxy-4-methoxy-phenyl)but-3-enoic acid Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/CC(=O)O)\C2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO4S/c1-29-21-12-11-18(14-22(21)30-16-17-7-3-2-4-8-17)13-19(15-24(27)28)25-26-20-9-5-6-10-23(20)31-25/h2-14H,15-16H2,1H3,(H,27,28)/b19-13-