(E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)but-3-enoic acid Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO3S/c1-2-11-24-16-9-7-14(8-10-16)12-15(13-19(22)23)20-21-17-5-3-4-6-18(17)25-20/h3-10,12H,2,11,13H2,1H3,(H,22,23)/b15-12+