2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H23N3O2S2/c1-4-25-16-8-5-9-17-19(16)21-20(27-17)23(13-12-22(2)3)18(24)11-10-15-7-6-14-26-15/h5-11,14H,4,12-13H2,1-3H3/p+1/b11-10+