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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]ethanone Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O2S2/c1-13-10-16(14(2)22(13)11-15-6-5-9-25-15)18(23)12-26-20-21-17-7-3-4-8-19(17)24-20/h3-10H,11-12H2,1-2H3