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

Systemtic Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)N2C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)N2C

InChI

InChI=1S/C19H21N3O3S3/c1-3-13-7-4-9-15-17(13)21(2)19(27-15)20-18(23)14-8-5-11-22(14)28(24,25)16-10-6-12-26-16/h4,6-7,9-10,12,14H,3,5,8,11H2,1-2H3