N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H28N4O4S3 MolecularWeight: 508.67712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O4S3/c1-4-30-17-9-5-10-18-20(17)23-22(32-18)25(14-13-24(2)3)21(27)16-8-6-12-26(16)33(28,29)19-11-7-15-31-19/h5,7,9-11,15-16H,4,6,8,12-14H2,1-3H3