5-tert-butyl-3-[[4-(6-oxidanylidene-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[[4-(6-oxidanylidene-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[[4-[6-oxo-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]thiophene-2-carboxylic acid CAS Name: 5-tert-butyl-3-[[oxo-[[4-(6-oxo-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)-1-naphthalenyl]amino]methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-tert-butyl-3-[[4-(6-oxo-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[[4-[6-keto-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]-2-thenoic acid Formula: C30H28N4O4S MolecularWeight: 540.63272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5

InChI

InChI=1S/C30H28N4O4S/c1-30(2,3)25-17-24(27(39-25)28(36)37)33-29(38)32-23-9-8-20(21-6-4-5-7-22(21)23)18-12-15-34(26(35)16-18)19-10-13-31-14-11-19/h4-11,13-14,16-17H,12,15H2,1-3H3,(H,36,37)(H2,32,33,38)