ethyl 2-[[6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[(4-keto-5-methyl-6-veratryl-1H-pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C(=C(N1)CC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C(=C(N1)CC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C18H22N2O5S/c1-5-25-16(21)10-26-18-19-13(11(2)17(22)20-18)8-12-6-7-14(23-3)15(9-12)24-4/h6-7,9H,5,8,10H2,1-4H3,(H,19,20,22)