N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide CAS Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide Traditional Name: N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-3-phenyl-propionamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S2/c1-3-27-14-13-23-18-11-10-17(29(2,25)26)15-19(18)28-21(23)22-20(24)12-9-16-7-5-4-6-8-16/h4-8,10-11,15H,3,9,12-14H2,1-2H3