2-[2-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[6-(4-tert-butylphenoxy)-3-pyridyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[6-(4-tert-butylphenoxy)-3-pyridyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)NC(=O)CSCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)NC(=O)CSCC(=O)O

InChI

InChI=1S/C19H22N2O4S/c1-19(2,3)13-4-7-15(8-5-13)25-17-9-6-14(10-20-17)21-16(22)11-26-12-18(23)24/h4-10H,11-12H2,1-3H3,(H,21,22)(H,23,24)