(E)-5-(1,3-benzothiazol-2-yl)-6-(4-prop-2-enoxyphenyl)hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-prop-2-enoxyphenyl)hex-5-enoic acid Openeye Name: (E)-6-(4-allyloxyphenyl)-5-(1,3-benzothiazol-2-yl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-prop-2-enoxyphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-prop-2-enoxyphenyl)hex-5-enoic acid Traditional Name: (E)-6-(4-allyloxyphenyl)-5-(1,3-benzothiazol-2-yl)hex-5-enoic acid Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3S/c1-2-14-26-18-12-10-16(11-13-18)15-17(6-5-9-21(24)25)22-23-19-7-3-4-8-20(19)27-22/h2-4,7-8,10-13,15H,1,5-6,9,14H2,(H,24,25)/b17-15+