(E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxy-3-methyl-phenyl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxy-3-methyl-phenyl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxy-3-methyl-phenyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxy-3-methylphenyl)-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxy-3-methylphenyl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxy-3-methyl-phenyl)hex-5-enoate Formula: C21H20NO3S- MolecularWeight: 366.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C(\CCCC(=O)[O-])/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H21NO3S/c1-14-12-15(10-11-18(14)25-2)13-16(6-5-9-20(23)24)21-22-17-7-3-4-8-19(17)26-21/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,23,24)/p-1/b16-13+