[5-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [5-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [5-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)-2-pyridyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)-2-pyridinyl] ester IUPAC Name: [5-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)-2-pyridyl] ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CSC(=N2)NC3=CN=C(C=C3)OC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC2(C1)CSC(=N2)NC3=CN=C(C=C3)OC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H24N4O2S/c27-21(26-12-9-16-5-1-2-6-17(16)14-26)28-19-8-7-18(13-23-19)24-20-25-22(15-29-20)10-3-4-11-22/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,24,25)