ethyl 2-(5,6-dimethyl-2-pyridin-3-yl-3-sulfanylidene-1H-isoindol-1-yl)ethanoate

Systemtic Name: ethyl 2-(5,6-dimethyl-2-pyridin-3-yl-3-sulfanylidene-1H-isoindol-1-yl)ethanoate Openeye Name: ethyl 2-[5,6-dimethyl-2-(3-pyridyl)-3-thioxo-isoindolin-1-yl]acetate CAS Name: 2-[5,6-dimethyl-2-(3-pyridinyl)-3-sulfanylidene-1H-isoindol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(5,6-dimethyl-2-pyridin-3-yl-3-sulfanylidene-1H-isoindol-1-yl)acetate Traditional Name: 2-[5,6-dimethyl-2-(3-pyridyl)-3-thioxo-isoindolin-1-yl]acetic acid ethyl ester Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=CC(=C(C=C2C(=S)N1C3=CN=CC=C3)C)C

Isomeric SMILES

CCOC(=O)CC1C2=CC(=C(C=C2C(=S)N1C3=CN=CC=C3)C)C

InChI

InChI=1S/C19H20N2O2S/c1-4-23-18(22)10-17-15-8-12(2)13(3)9-16(15)19(24)21(17)14-6-5-7-20-11-14/h5-9,11,17H,4,10H2,1-3H3