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

Systemtic Name: ethyl 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[2-(2-quinolylsulfanyl)butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-(2-quinolylthio)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H24N2O3S2/c1-5-17(29-18-12-11-15-9-7-8-10-16(15)23-18)20(25)24-21-19(22(26)27-6-2)13(3)14(4)28-21/h7-12,17H,5-6H2,1-4H3,(H,24,25)