(phenylmethyl) 2-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]pyrazolidine-1-carboxylate CAS Name: 2-[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)thio]acetyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N2O5S/c1-26-18-10-9-17(13-19(18)27-2)29-15-20(24)22-11-6-12-23(22)21(25)28-14-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3