ethyl 3-[[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[3-(2,5-dimethoxyphenyl)acryloyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C=CC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C=CC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C20H27N3O5S/c1-4-28-19(25)10-11-21-20(29)23-13-5-12-22(23)18(24)9-6-15-14-16(26-2)7-8-17(15)27-3/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,29)