[2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] ester Formula: C23H20N2O4S MolecularWeight: 420.4809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O4S/c1-30-22-17(10-7-13-24-22)23(27)29-15-21(26)25-18-11-5-6-12-20(18)28-14-19(25)16-8-3-2-4-9-16/h2-13,19H,14-15H2,1H3