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

Systemtic Name: methyl 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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