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

Systemtic Name: methyl 2-[[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=S)NCC(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=S)NCC(=O)OC

InChI

InChI=1S/C18H23N3O5S/c1-24-14-6-7-15(25-2)13(11-14)5-8-16(22)20-9-4-10-21(20)18(27)19-12-17(23)26-3/h5-8,11H,4,9-10,12H2,1-3H3,(H,19,27)