(E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-prop-2-ynoxy-phenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-prop-2-ynoxy-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-prop-2-ynoxy-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-prop-2-ynoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-prop-2-ynoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-propargyloxy-phenyl)pent-4-enoic acid Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)OCC#C

InChI

InChI=1S/C23H21NO4S/c1-3-13-28-19-11-9-16(15-20(19)27-4-2)14-17(10-12-22(25)26)23-24-18-7-5-6-8-21(18)29-23/h1,5-9,11,14-15H,4,10,12-13H2,2H3,(H,25,26)/b17-14+