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

Systemtic Name: 3-[4-(7-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-(7-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-(7-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-(7-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-(7-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazino]-2,2-dimethyl-propionic acid Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=C3C=CSC3=NC4=C(N2)C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=C3C=CSC3=NC4=C(N2)C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C21H26N4O3S/c1-21(2,20(26)27)13-24-7-9-25(10-8-24)18-15-6-11-29-19(15)23-16-5-4-14(28-3)12-17(16)22-18/h4-6,11-12,22H,7-10,13H2,1-3H3,(H,26,27)