ethyl 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[2-(2-quinolylsulfanyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(2-quinolinylthio)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-(2-quinolylthio)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O3S2/c1-5-26-21(25)18-12(2)13(3)28-20(18)23-19(24)14(4)27-17-11-10-15-8-6-7-9-16(15)22-17/h6-11,14H,5H2,1-4H3,(H,23,24)