N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonyl-benzamide

Systemtic Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonyl-benzamide Openeye Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonyl-benzamide CAS Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonylbenzamide IUPAC Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonylbenzamide Traditional Name: 2-esyl-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)CC)S2)CCOC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)CC)S2)CCOC

InChI

InChI=1S/C21H24N2O5S2/c1-4-28-15-10-11-17-18(14-15)29-21(23(17)12-13-27-3)22-20(24)16-8-6-7-9-19(16)30(25,26)5-2/h6-11,14H,4-5,12-13H2,1-3H3