ethyl 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoate

Systemtic Name: ethyl 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoate Openeye Name: ethyl 4-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)benzoate CAS Name: 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoate Traditional Name: 4-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)benzoic acid ethyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(NC2=S)(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(NC2=S)(C)C)C

InChI

InChI=1S/C16H20N2O2S/c1-5-20-14(19)12-6-8-13(9-7-12)18-11(2)10-16(3,4)17-15(18)21/h6-10H,5H2,1-4H3,(H,17,21)