3-azanyl-4-methylsulfanyl-6-[4-[(2-naphthalen-2-yl-2-oxidanyl-ethyl)amino]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-methylsulfanyl-6-[4-[(2-naphthalen-2-yl-2-oxidanyl-ethyl)amino]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[[2-hydroxy-2-(2-naphthyl)ethyl]amino]-1-piperidyl]-4-methylsulfanyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[[2-hydroxy-2-(2-naphthalenyl)ethyl]amino]-1-piperidinyl]-4-(methylthio)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]piperidin-1-yl]-4-methylsulfanylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[[2-hydroxy-2-(2-naphthyl)ethyl]amino]piperidino]-4-(methylthio)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C26H28N4O3S2 MolecularWeight: 508.65552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CSC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C26H28N4O3S2/c1-34-20-13-21(29-25-22(20)23(27)24(35-25)26(32)33)30-10-8-18(9-11-30)28-14-19(31)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12-13,18-19,28,31H,8-11,14,27H2,1H3,(H,32,33)