methyl 2-[4-[(E)-3-(pyridin-3-ylmethylamino)-3-sulfanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(E)-3-(pyridin-3-ylmethylamino)-3-sulfanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[(E)-3-(3-pyridylmethylamino)-3-thioxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[4-[(E)-3-(3-pyridinylmethylamino)-3-sulfanylideneprop-1-enyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(E)-3-(pyridin-3-ylmethylamino)-3-sulfanylideneprop-1-enyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-3-(3-pyridylmethylamino)-3-thioxo-prop-1-enyl]phenoxy]acetic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C=CC(=S)NCC2=CN=CC=C2

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)/C=C/C(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C18H18N2O3S/c1-22-18(21)13-23-16-7-4-14(5-8-16)6-9-17(24)20-12-15-3-2-10-19-11-15/h2-11H,12-13H2,1H3,(H,20,24)/b9-6+