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

Systemtic Name: ethyl 2-[[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-2-23-16(22)10-18-17(26)20-7-3-6-19(20)15(21)9-12-4-5-13-14(8-12)25-11-24-13/h4-5,8H,2-3,6-7,9-11H2,1H3,(H,18,26)