methyl 3-(3,4-dihydro-1,2-benzodioxin-4-ylcarbamothioylamino)propanoate

Systemtic Name: methyl 3-(3,4-dihydro-1,2-benzodioxin-4-ylcarbamothioylamino)propanoate Openeye Name: methyl 3-(3,4-dihydro-1,2-benzodioxin-4-ylcarbamothioylamino)propanoate CAS Name: 3-[[(3,4-dihydro-1,2-benzodioxin-4-ylamino)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-1,2-benzodioxin-4-ylcarbamothioylamino)propanoate Traditional Name: 3-(3,4-dihydro-1,2-benzodioxin-4-ylthiocarbamoylamino)propionic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=S)NC1COOC2=CC=CC=C12

Isomeric SMILES

COC(=O)CCNC(=S)NC1COOC2=CC=CC=C12

InChI

InChI=1S/C13H16N2O4S/c1-17-12(16)6-7-14-13(20)15-10-8-18-19-11-5-3-2-4-9(10)11/h2-5,10H,6-8H2,1H3,(H2,14,15,20)