2-[2-acetyloxyethyl-[4-[(7-methylsulfanylquinolin-4-yl)sulfanylmethyl]phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[4-[(7-methylsulfanylquinolin-4-yl)sulfanylmethyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-4-[(7-methylsulfanyl-4-quinolyl)sulfanylmethyl]anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-4-[[[7-(methylthio)-4-quinolinyl]thio]methyl]anilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-4-[(7-methylsulfanylquinolin-4-yl)sulfanylmethyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-4-[[[7-(methylthio)-4-quinolyl]thio]methyl]anilino]ethyl ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)CSC2=C3C=CC(=CC3=NC=C2)SC

Isomeric SMILES

CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)CSC2=C3C=CC(=CC3=NC=C2)SC

InChI

InChI=1S/C25H28N2O4S2/c1-18(28)30-14-12-27(13-15-31-19(2)29)21-6-4-20(5-7-21)17-33-25-10-11-26-24-16-22(32-3)8-9-23(24)25/h4-11,16H,12-15,17H2,1-3H3