[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)CSC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)CSC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H24N2O6S/c1-12(2)5-6-19-18(23)20-16(21)10-26-17(22)11-27-13-3-4-14-15(9-13)25-8-7-24-14/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,19,20,21,23)