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

Systemtic Name: N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C18H18BrN3O3S3 MolecularWeight: 500.45282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18BrN3O3S3/c1-2-21-16-12(19)6-3-8-14(16)27-18(21)20-17(23)13-7-4-10-22(13)28(24,25)15-9-5-11-26-15/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3