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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C22H20N2O2S MolecularWeight: 376.4714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N2O2S/c1-15-12-18(16(2)24(15)13-17-8-4-3-5-9-17)20(25)14-27-22-23-19-10-6-7-11-21(19)26-22/h3-12H,13-14H2,1-2H3