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

Systemtic Name: (6aS)-6-methylsulfanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: (6aS)-6-methylsulfanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: (6aS)-6-(methylthio)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: (6aS)-6-methylsulfanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: (6aS)-6-(methylthio)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=O)N3C1CCC3

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=O)N3[C@H]1CCC3

InChI

InChI=1S/C13H14N2OS/c1-17-12-11-7-4-8-15(11)13(16)9-5-2-3-6-10(9)14-12/h2-3,5-6,11H,4,7-8H2,1H3/t11-/m0/s1