N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H25N3O4S2/c1-4-24-18-12-9-16(29-3)14-20(18)30-22(24)23-21(26)19-6-5-13-25(19)31(27,28)17-10-7-15(2)8-11-17/h7-12,14,19H,4-6,13H2,1-3H3