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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)but-3-enoate Formula: C21H20NO3S- MolecularWeight: 366.4534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-2-3-12-25-17-10-8-15(9-11-17)13-16(14-20(23)24)21-22-18-6-4-5-7-19(18)26-21/h4-11,13H,2-3,12,14H2,1H3,(H,23,24)/p-1/b16-13+