N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C20H23N3O4S3 MolecularWeight: 465.60932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)OCC

Isomeric SMILES

CCN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)OCC

InChI

InChI=1S/C20H23N3O4S3/c1-3-22-18-15(27-4-2)9-5-10-16(18)29-20(22)21-19(24)14-8-6-12-23(14)30(25,26)17-11-7-13-28-17/h5,7,9-11,13-14H,3-4,6,8,12H2,1-2H3