(6aS)-2,3-dimethoxy-8-thiophen-2-yl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: (6aS)-2,3-dimethoxy-8-thiophen-2-yl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: (6aS)-2,3-dimethoxy-8-(2-thienyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: (6aS)-2,3-dimethoxy-8-thiophen-2-yl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: (6aS)-2,3-dimethoxy-8-thiophen-2-yl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: (6aS)-2,3-dimethoxy-8-(2-thienyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3C=C(CC3C=N2)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3C=C(C[C@H]3C=N2)C4=CC=CS4)OC

InChI

InChI=1S/C18H16N2O3S/c1-22-15-7-13-14(8-16(15)23-2)19-9-12-6-11(10-20(12)18(13)21)17-4-3-5-24-17/h3-5,7-10,12H,6H2,1-2H3/t12-/m0/s1