N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(6-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=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)C

InChI

InChI=1S/C19H21N3O3S3/c1-3-13-8-9-14-16(12-13)27-19(21(14)2)20-18(23)15-6-4-10-22(15)28(24,25)17-7-5-11-26-17/h5,7-9,11-12,15H,3-4,6,10H2,1-2H3