N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)N2CC#C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)N2CC#C

InChI

InChI=1S/C21H21N3O3S3/c1-4-9-23-17-12-14(2)15(3)13-18(17)29-21(23)22-20(25)16-7-5-10-24(16)30(26,27)19-8-6-11-28-19/h1,6,8,11-13,16H,5,7,9-10H2,2-3H3