6-(1,3-benzodioxol-5-yl)-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylsulfanylethyl)piperazine-2,5-dione

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylsulfanylethyl)piperazine-2,5-dione Openeye Name: 6-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-furyl)methyl]-3-(2-methylsulfanylethyl)piperazine-2,5-dione CAS Name: 6-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-furanyl)methyl]-3-[2-(methylthio)ethyl]piperazine-2,5-dione IUPAC Name: 6-(1,3-benzodioxol-5-yl)-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylsulfanylethyl)piperazine-2,5-dione Traditional Name: 6-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-furyl)methyl]-3-[2-(methylthio)ethyl]piperazine-2,5-quinone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C(C(=O)NC(C2=O)CCSC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(O1)CN2C(C(=O)NC(C2=O)CCSC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c1-12-3-5-14(27-12)10-22-18(13-4-6-16-17(9-13)26-11-25-16)19(23)21-15(20(22)24)7-8-28-2/h3-6,9,15,18H,7-8,10-11H2,1-2H3,(H,21,23)