methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)acetyl]amino]acetate CAS Name: 2-[[2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)acetyl]amino]acetate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)acetyl]amino]acetic acid methyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CNC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

COC(=O)CNC(=O)CNC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C14H17N3O5S/c1-20-13(19)8-15-12(18)7-16-14(23)17-9-2-3-10-11(6-9)22-5-4-21-10/h2-3,6H,4-5,7-8H2,1H3,(H,15,18)(H2,16,17,23)