3-[4-(3,7-dimethyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-(3,7-dimethyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-(3,7-dimethyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-(3,7-dimethyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-(3,7-dimethyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-(3,7-dimethyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazino]-2,2-dimethyl-propionic acid Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C3C(=C(N2)N4CCN(CC4)CC(C)(C)C(=O)O)C(=CS3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C3C(=C(N2)N4CCN(CC4)CC(C)(C)C(=O)O)C(=CS3)C

InChI

InChI=1S/C22H28N4O2S/c1-14-5-6-16-17(11-14)23-19(18-15(2)12-29-20(18)24-16)26-9-7-25(8-10-26)13-22(3,4)21(27)28/h5-6,11-12,23H,7-10,13H2,1-4H3,(H,27,28)