(E)-3-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]but-3-enoate Formula: C21H21N2O2S- MolecularWeight: 365.46864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-3-23(4-2)17-11-9-15(10-12-17)13-16(14-20(24)25)21-22-18-7-5-6-8-19(18)26-21/h5-13H,3-4,14H2,1-2H3,(H,24,25)/p-1/b16-13+