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

Systemtic Name: ethyl 2-[[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-[3-(2,5-dimethoxyphenyl)acryloyl]pyrazolidine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-4-27-18(24)13-20-19(28)22-11-5-10-21(22)17(23)9-6-14-12-15(25-2)7-8-16(14)26-3/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,28)