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

Systemtic Name: (4aR)-9-(2-fluorophenyl)-3-(2-methylsulfanylethanoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-9-(2-fluorophenyl)-3-(2-methylsulfanylacetyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aR)-9-(2-fluorophenyl)-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-(2-fluorophenyl)-3-(2-methylsulfanylacetyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-9-(2-fluorophenyl)-3-[2-(methylthio)acetyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C21H20FN3O3S MolecularWeight: 413.465203

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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=CC=CC=C4F

Isomeric SMILES

CSCC(=O)N1CCN2[C@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O3S/c1-29-12-19(26)24-8-9-25-18(11-24)20(27)23-17-7-6-13(10-15(17)21(25)28)14-4-2-3-5-16(14)22/h2-7,10,18H,8-9,11-12H2,1H3,(H,23,27)/t18-/m1/s1