N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H25N3O6S3 MolecularWeight: 511.6347

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)OC)OC

Isomeric SMILES

COCCN1C2=C(C=CC(=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)OC)OC

InChI

InChI=1S/C21H25N3O6S3/c1-28-12-11-23-18-15(29-2)8-9-16(30-3)19(18)32-21(23)22-20(25)14-6-4-10-24(14)33(26,27)17-7-5-13-31-17/h5,7-9,13-14H,4,6,10-12H2,1-3H3