2-[2-[(4aR)-9-(furan-2-yl)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(4aR)-9-(furan-2-yl)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(4aR)-9-(2-furyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(4aR)-9-(2-furanyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(4aR)-9-(furan-2-yl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(4aR)-9-(2-furyl)-5,11-diketo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-keto-ethyl]thio]acetate Formula: C20H18N3O6S- MolecularWeight: 428.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C(=O)CSCC(=O)[O-])C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CO4

Isomeric SMILES

C1CN2[C@H](CN1C(=O)CSCC(=O)[O-])C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C20H19N3O6S/c24-17(10-30-11-18(25)26)22-5-6-23-15(9-22)19(27)21-14-4-3-12(8-13(14)20(23)28)16-2-1-7-29-16/h1-4,7-8,15H,5-6,9-11H2,(H,21,27)(H,25,26)/p-1/t15-/m1/s1