(E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxy-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxy-phenyl)but-3-enoic acid Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C20H19NO4S/c1-3-25-16-9-8-13(11-17(16)24-2)10-14(12-19(22)23)20-21-15-6-4-5-7-18(15)26-20/h4-11H,3,12H2,1-2H3,(H,22,23)/b14-10+