methyl 2-[2-(1,3-benzodioxol-5-ylcarbamothioylamino)ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylcarbamothioylamino)ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-ylcarbamothioylamino)acetyl]amino]acetate CAS Name: 2-[[2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-ylcarbamothioylamino)acetyl]amino]acetate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylthiocarbamoylamino)acetyl]amino]acetic acid methyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CNC(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CNC(=O)CNC(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H15N3O5S/c1-19-12(18)6-14-11(17)5-15-13(22)16-8-2-3-9-10(4-8)21-7-20-9/h2-4H,5-7H2,1H3,(H,14,17)(H2,15,16,22)