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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H18N2O2S/c1-11-9-14(12(2)20(11)13-7-8-13)16(21)10-23-18-19-15-5-3-4-6-17(15)22-18/h3-6,9,13H,7-8,10H2,1-2H3