3-(6-phenylsulfanylpyridin-2-yl)prop-1-ynyl 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylate

Systemtic Name: 3-(6-phenylsulfanylpyridin-2-yl)prop-1-ynyl 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylate Openeye Name: 3-(6-phenylsulfanyl-2-pyridyl)prop-1-ynyl 3-[(E)-isobutoxyiminomethyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]-1-cyclopropanecarboxylic acid 3-[6-(phenylthio)-2-pyridinyl]prop-1-ynyl ester IUPAC Name: 3-(6-phenylsulfanylpyridin-2-yl)prop-1-ynyl 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylate Traditional Name: 3-[(E)-isobutyloximinomethyl]-2,2-dimethyl-cyclopropanecarboxylic acid 3-[6-(phenylthio)-2-pyridyl]prop-1-ynyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CON=CC1C(C1(C)C)C(=O)OC#CCC2=NC(=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)CO/N=C/C1C(C1(C)C)C(=O)OC#CCC2=NC(=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S/c1-18(2)17-30-26-16-21-23(25(21,3)4)24(28)29-15-9-11-19-10-8-14-22(27-19)31-20-12-6-5-7-13-20/h5-8,10,12-14,16,18,21,23H,11,17H2,1-4H3/b26-16+