(E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxyphenyl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxyphenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxyphenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxyphenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxyphenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxyphenyl)pent-4-enoate Formula: C22H22NO3S- MolecularWeight: 380.47998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23NO3S/c1-2-3-14-26-18-11-8-16(9-12-18)15-17(10-13-21(24)25)22-23-19-6-4-5-7-20(19)27-22/h4-9,11-12,15H,2-3,10,13-14H2,1H3,(H,24,25)/p-1/b17-15+