4-[5-[5-[(but-2-ynoxycarbonylamino)methyl]-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[5-[5-[(but-2-ynoxycarbonylamino)methyl]-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[5-[5-[(but-2-ynoxycarbonylamino)methyl]-1H-pyrazol-3-yl]-4-(3-pyridyl)thiazol-2-yl]-2-hydroxy-benzoic acid CAS Name: 4-[5-[5-[[[but-2-ynoxy(oxo)methyl]amino]methyl]-1H-pyrazol-3-yl]-4-(3-pyridinyl)-2-thiazolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[5-[5-[(but-2-ynoxycarbonylamino)methyl]-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-yl]-2-hydroxybenzoic acid Traditional Name: 4-[5-[5-[(but-2-ynoxycarbonylamino)methyl]-1H-pyrazol-3-yl]-4-(3-pyridyl)thiazol-2-yl]-2-hydroxy-benzoic acid Formula: C24H19N5O5S MolecularWeight: 489.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CC(=C(C=C3)C(=O)O)O)C4=CN=CC=C4

Isomeric SMILES

CC#CCOC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CC(=C(C=C3)C(=O)O)O)C4=CN=CC=C4

InChI

InChI=1S/C24H19N5O5S/c1-2-3-9-34-24(33)26-13-16-11-18(29-28-16)21-20(15-5-4-8-25-12-15)27-22(35-21)14-6-7-17(23(31)32)19(30)10-14/h4-8,10-12,30H,9,13H2,1H3,(H,26,33)(H,28,29)(H,31,32)