2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: 2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: 2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: 2,3-dimethoxy-6-(methylthio)-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: 2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: 2,3-dimethoxy-6-(methylthio)-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3CC=CC3C(N2)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3CC=CC3C(N2)SC)OC

InChI

InChI=1S/C15H18N2O3S/c1-19-12-7-9-10(8-13(12)20-2)16-14(21-3)11-5-4-6-17(11)15(9)18/h4-5,7-8,11,14,16H,6H2,1-3H3