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

Systemtic Name: methyl 2-[[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c1-22-15(21)9-17-16(25)19-6-2-5-18(19)14(20)8-11-3-4-12-13(7-11)24-10-23-12/h3-4,7H,2,5-6,8-10H2,1H3,(H,17,25)