ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CSC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CSC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C23H20N2O5S/c1-3-28-22(27)21-14(2)15-8-4-5-9-16(15)24-18(21)12-29-20(26)13-31-23-25-17-10-6-7-11-19(17)30-23/h4-11H,3,12-13H2,1-2H3