ethyl (Z)-3-(1-tert-butyl-2-sulfanylidene-pyridin-3-yl)-2-(phenylcarbonyl)prop-2-enoate

Systemtic Name: ethyl (Z)-3-(1-tert-butyl-2-sulfanylidene-pyridin-3-yl)-2-(phenylcarbonyl)prop-2-enoate Openeye Name: ethyl (Z)-2-benzoyl-3-(1-tert-butyl-2-thioxo-3-pyridyl)prop-2-enoate CAS Name: (Z)-2-benzoyl-3-(1-tert-butyl-2-sulfanylidene-3-pyridinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-benzoyl-3-(1-tert-butyl-2-sulfanylidenepyridin-3-yl)prop-2-enoate Traditional Name: (Z)-2-benzoyl-3-(1-tert-butyl-2-thioxo-3-pyridyl)acrylic acid ethyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CN(C1=S)C(C)(C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=CN(C1=S)C(C)(C)C)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO3S/c1-5-25-20(24)17(18(23)15-10-7-6-8-11-15)14-16-12-9-13-22(19(16)26)21(2,3)4/h6-14H,5H2,1-4H3/b17-14-