2-(1,3-benzoxazol-2-ylsulfanyl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C17H18N2O2S/c1-4-19-11(2)9-13(12(19)3)15(20)10-22-17-18-14-7-5-6-8-16(14)21-17/h5-9H,4,10H2,1-3H3