2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]ethanone Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O2S2/c1-14-12-17(15(2)23(14)10-9-16-6-5-11-26-16)19(24)13-27-21-22-18-7-3-4-8-20(18)25-21/h3-8,11-12H,9-10,13H2,1-2H3