2-[2-[[2-ethyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-[[2-ethyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-[2-ethyl-3-[4-(4-pyridyl)thiazol-2-yl]anilino]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[2-ethyl-3-(4-pyridin-4-yl-2-thiazolyl)anilino]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-[2-ethyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino]-2-oxoethyl]benzoic acid Traditional Name: 2-[2-[2-ethyl-3-[4-(4-pyridyl)thiazol-2-yl]anilino]-2-keto-ethyl]benzoic acid Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC(=O)CC2=CC=CC=C2C(=O)O)C3=NC(=CS3)C4=CC=NC=C4

Isomeric SMILES

CCC1=C(C=CC=C1NC(=O)CC2=CC=CC=C2C(=O)O)C3=NC(=CS3)C4=CC=NC=C4

InChI

InChI=1S/C25H21N3O3S/c1-2-18-20(24-28-22(15-32-24)16-10-12-26-13-11-16)8-5-9-21(18)27-23(29)14-17-6-3-4-7-19(17)25(30)31/h3-13,15H,2,14H2,1H3,(H,27,29)(H,30,31)