[(6aS,8R)-6-methylsulfanyl-11-sulfanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] ethanoate

Systemtic Name: [(6aS,8R)-6-methylsulfanyl-11-sulfanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] ethanoate Openeye Name: [(6aS,8R)-6-methylsulfanyl-11-thioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] acetate CAS Name: acetic acid [(6aS,8R)-6-(methylthio)-11-sulfanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] ester IUPAC Name: [(6aS,8R)-6-methylsulfanyl-11-sulfanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] acetate Traditional Name: acetic acid [(6aS,8R)-6-(methylthio)-11-thioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] ester Formula: C15H16N2O2S2 MolecularWeight: 320.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2C(=NC3=CC=CC=C3C(=S)N2C1)SC

Isomeric SMILES

CC(=O)O[C@@H]1C[C@H]2C(=NC3=CC=CC=C3C(=S)N2C1)SC

InChI

InChI=1S/C15H16N2O2S2/c1-9(18)19-10-7-13-14(21-2)16-12-6-4-3-5-11(12)15(20)17(13)8-10/h3-6,10,13H,7-8H2,1-2H3/t10-,13+/m1/s1