diethyl 3-methyl-5-(2-quinolin-2-ylsulfanylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(2-quinolin-2-ylsulfanylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(2-quinolylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-quinolin-2-ylsulfanylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(2-quinolylthio)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O5S2/c1-4-28-21(26)18-13(3)19(22(27)29-5-2)31-20(18)24-16(25)12-30-17-11-10-14-8-6-7-9-15(14)23-17/h6-11H,4-5,12H2,1-3H3,(H,24,25)