propan-2-yl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-4-(methylthio)butyric acid isopropyl ester Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H24N2O4S2/c1-11(2)23-16(20)13(6-9-25-3)19-17(24)18-12-4-5-14-15(10-12)22-8-7-21-14/h4-5,10-11,13H,6-9H2,1-3H3,(H2,18,19,24)