ethyl 4-(2-quinolin-2-ylsulfanylbutanoylamino)benzoate

Systemtic Name: ethyl 4-(2-quinolin-2-ylsulfanylbutanoylamino)benzoate Openeye Name: ethyl 4-[2-(2-quinolylsulfanyl)butanoylamino]benzoate CAS Name: 4-[[1-oxo-2-(2-quinolinylthio)butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-quinolin-2-ylsulfanylbutanoylamino)benzoate Traditional Name: 4-[2-(2-quinolylthio)butanoylamino]benzoic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O3S/c1-3-19(28-20-14-11-15-7-5-6-8-18(15)24-20)21(25)23-17-12-9-16(10-13-17)22(26)27-4-2/h5-14,19H,3-4H2,1-2H3,(H,23,25)