N-[4,6-bis(fluoranyl)-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-butoxy-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-butoxy-benzamide Openeye Name: 4-butoxy-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-butoxy-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-butoxy-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-butoxy-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C21H22F2N2O3S MolecularWeight: 420.472786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CCOC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CCOC

InChI

InChI=1S/C21H22F2N2O3S/c1-3-4-10-28-16-7-5-14(6-8-16)20(26)24-21-25(9-11-27-2)19-17(23)12-15(22)13-18(19)29-21/h5-8,12-13H,3-4,9-11H2,1-2H3