ethyl 4-[3-(1-oxidanyl-3-oxidanylidene-3-phenyl-propyl)-2-sulfanylidene-pyridin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(1-oxidanyl-3-oxidanylidene-3-phenyl-propyl)-2-sulfanylidene-pyridin-1-yl]benzoate Openeye Name: ethyl 4-[3-(1-hydroxy-3-oxo-3-phenyl-propyl)-2-thioxo-1-pyridyl]benzoate CAS Name: 4-[3-(1-hydroxy-3-oxo-3-phenylpropyl)-2-sulfanylidene-1-pyridinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-hydroxy-3-oxo-3-phenylpropyl)-2-sulfanylidenepyridin-1-yl]benzoate Traditional Name: 4-[3-(1-hydroxy-3-keto-3-phenyl-propyl)-2-thioxo-1-pyridyl]benzoic acid ethyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=CC=C(C2=S)C(CC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=CC=C(C2=S)C(CC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C23H21NO4S/c1-2-28-23(27)17-10-12-18(13-11-17)24-14-6-9-19(22(24)29)21(26)15-20(25)16-7-4-3-5-8-16/h3-14,21,26H,2,15H2,1H3