2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-diethylazanium Traditional Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)acryloyl]amino]ethyl-diethyl-ammonium Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC(=CC(=C2S1)C)C)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC(=CC(=C2S1)C)C)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C22H27N3OS2/c1-5-24(6-2)11-12-25(20(26)10-9-18-8-7-13-27-18)22-23-19-15-16(3)14-17(4)21(19)28-22/h7-10,13-15H,5-6,11-12H2,1-4H3/p+1/b10-9+