(4R,5aR,9aR)-4-(2-methoxyphenyl)-5-[2-(1,3-thiazol-2-yl)ethanoyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one

Systemtic Name: (4R,5aR,9aR)-4-(2-methoxyphenyl)-5-[2-(1,3-thiazol-2-yl)ethanoyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one Openeye Name: (4R,5aR,9aR)-4-(2-methoxyphenyl)-5-(2-thiazol-2-ylacetyl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one CAS Name: (4R,5aR,9aR)-4-(2-methoxyphenyl)-5-[1-oxo-2-(2-thiazolyl)ethyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one IUPAC Name: (4R,5aR,9aR)-4-(2-methoxyphenyl)-5-[2-(1,3-thiazol-2-yl)acetyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one Traditional Name: (4R,5aR,9aR)-4-(2-methoxyphenyl)-5-(2-thiazol-2-ylacetyl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3=C(CNC3=O)NC4CCCCC4N2C(=O)CC5=NC=CS5

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2C3=C(CNC3=O)N[C@@H]4CCCC[C@H]4N2C(=O)CC5=NC=CS5

InChI

InChI=1S/C23H26N4O3S/c1-30-18-9-5-2-6-14(18)22-21-16(13-25-23(21)29)26-15-7-3-4-8-17(15)27(22)20(28)12-19-24-10-11-31-19/h2,5-6,9-11,15,17,22,26H,3-4,7-8,12-13H2,1H3,(H,25,29)/t15-,17-,22-/m1/s1