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

Systemtic Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)N2CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)N2CC

InChI

InChI=1S/C20H23N3O3S3/c1-3-14-8-5-10-16-18(14)22(4-2)20(28-16)21-19(24)15-9-6-12-23(15)29(25,26)17-11-7-13-27-17/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3