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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-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-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H22N2O6S/c21-16(20-18(23)19-12-3-1-2-4-12)10-26-17(22)11-27-13-5-6-14-15(9-13)25-8-7-24-14/h5-6,9,12H,1-4,7-8,10-11H2,(H2,19,20,21,23)