2-[4-(3-methyl-1-phenyl-butyl)sulfanyl-3-(2H-pyran-6-yl)pyridin-2-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(3-methyl-1-phenyl-butyl)sulfanyl-3-(2H-pyran-6-yl)pyridin-2-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(3-methyl-1-phenyl-butyl)sulfanyl-3-(2H-pyran-6-yl)-2-pyridyl]-2-oxo-acetic acid CAS Name: 2-[4-[(3-methyl-1-phenylbutyl)thio]-3-(2H-pyran-6-yl)-2-pyridinyl]-2-oxoacetic acid IUPAC Name: 2-[4-(3-methyl-1-phenylbutyl)sulfanyl-3-(2H-pyran-6-yl)pyridin-2-yl]-2-oxoacetic acid Traditional Name: 2-keto-2-[4-[(3-methyl-1-phenyl-butyl)thio]-3-(2H-pyran-6-yl)-2-pyridyl]acetic acid Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)SC2=C(C(=NC=C2)C(=O)C(=O)O)C3=CC=CCO3

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)SC2=C(C(=NC=C2)C(=O)C(=O)O)C3=CC=CCO3

InChI

InChI=1S/C23H23NO4S/c1-15(2)14-19(16-8-4-3-5-9-16)29-18-11-12-24-21(22(25)23(26)27)20(18)17-10-6-7-13-28-17/h3-12,15,19H,13-14H2,1-2H3,(H,26,27)