ethyl 4-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(8-methoxy-4-methyl-2-quinolyl)thio]butanoylamino]benzoic acid ethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=C(C=CC=C3OC)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=C(C=CC=C3OC)C(=C2)C

InChI

InChI=1S/C24H26N2O4S/c1-5-20(23(27)25-17-12-10-16(11-13-17)24(28)30-6-2)31-21-14-15(3)18-8-7-9-19(29-4)22(18)26-21/h7-14,20H,5-6H2,1-4H3,(H,25,27)