2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C17H15ClN2OS3 MolecularWeight: 394.9618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C17H15ClN2OS3/c18-11-5-6-14-12(9-11)19-17(24-14)23-10-16(21)20-7-1-3-13(20)15-4-2-8-22-15/h2,4-6,8-9,13H,1,3,7,10H2