methyl 6-[2-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-[(3,4-dimethoxyphenyl)thio]acetyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C21H23N3O6S/c1-28-17-8-6-15(11-18(17)29-2)31-13-19(25)23-9-4-10-24(23)20(26)16-7-5-14(12-22-16)21(27)30-3/h5-8,11-12H,4,9-10,13H2,1-3H3