ethyl 3-[[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H23N3O5S/c1-2-24-17(23)6-7-19-18(27)21-9-3-8-20(21)16(22)11-13-4-5-14-15(10-13)26-12-25-14/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,19,27)