3-[4-(3-methoxy-8-oxidanyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-(3-methoxy-8-oxidanyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-(8-hydroxy-3-methoxy-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-(8-hydroxy-3-methoxy-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)-1-piperazinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-(8-hydroxy-3-methoxy-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-(8-hydroxy-3-methoxy-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazino]-2,2-dimethyl-propionic acid Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=NC3=C(C=C(C=C3)O)NC4=C2C(=CS4)OC)C(=O)O

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=NC3=C(C=C(C=C3)O)NC4=C2C(=CS4)OC)C(=O)O

InChI

InChI=1S/C21H26N4O4S/c1-21(2,20(27)28)12-24-6-8-25(9-7-24)18-17-16(29-3)11-30-19(17)23-15-10-13(26)4-5-14(15)22-18/h4-5,10-11,23,26H,6-9,12H2,1-3H3,(H,27,28)