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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propoxyphenyl)but-3-enoate Formula: C20H18NO3S- MolecularWeight: 352.42682

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO3S/c1-2-11-24-16-9-7-14(8-10-16)12-15(13-19(22)23)20-21-17-5-3-4-6-18(17)25-20/h3-10,12H,2,11,13H2,1H3,(H,22,23)/p-1/b15-12+