(4R,5aR,9aR)-4-(2-methylphenyl)-5-[(E)-3-(1,3-thiazol-2-yl)prop-2-enoyl]-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-methylphenyl)-5-[(E)-3-(1,3-thiazol-2-yl)prop-2-enoyl]-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-(o-tolyl)-5-[(E)-3-thiazol-2-ylprop-2-enoyl]-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-methylphenyl)-5-[(E)-1-oxo-3-(2-thiazolyl)prop-2-enyl]-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-methylphenyl)-5-[(E)-3-(1,3-thiazol-2-yl)prop-2-enoyl]-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-(o-tolyl)-5-[(E)-3-thiazol-2-ylacryloyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=C(CNC3=O)NC4CCCCC4N2C(=O)C=CC5=NC=CS5

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2C3=C(CNC3=O)N[C@@H]4CCCC[C@H]4N2C(=O)/C=C/C5=NC=CS5

InChI

InChI=1S/C24H26N4O2S/c1-15-6-2-3-7-16(15)23-22-18(14-26-24(22)30)27-17-8-4-5-9-19(17)28(23)21(29)11-10-20-25-12-13-31-20/h2-3,6-7,10-13,17,19,23,27H,4-5,8-9,14H2,1H3,(H,26,30)/b11-10+/t17-,19-,23-/m1/s1