3-(2,5-dimethoxyphenyl)-1-[2-(2-methylsulfanylethanoyl)pyrazolidin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylsulfanylethanoyl)pyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylsulfanylacetyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[2-[2-(methylthio)-1-oxoethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylsulfanylacetyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[2-[2-(methylthio)acetyl]pyrazolidin-1-yl]prop-2-en-1-one Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)CSC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)CSC

InChI

InChI=1S/C17H22N2O4S/c1-22-14-6-7-15(23-2)13(11-14)5-8-16(20)18-9-4-10-19(18)17(21)12-24-3/h5-8,11H,4,9-10,12H2,1-3H3