(4aR)-9-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylethanoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

Systemtic Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylethanoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylacetyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-[2-(methylthio)-1-oxoethyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylacetyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-[2-(methylthio)acetyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSCC(=O)N1CCN2[C@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O5S/c1-31-11-20(26)24-6-7-25-17(10-24)21(27)23-16-4-2-13(8-15(16)22(25)28)14-3-5-18-19(9-14)30-12-29-18/h2-5,8-9,17H,6-7,10-12H2,1H3,(H,23,27)/t17-/m1/s1