(4-methylsulfanylphenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [4-(methylthio)benzyl] ester Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C25H25NO5S2/c1-30-23-14-11-20(25(27)31-17-18-9-12-21(32-2)13-10-18)16-24(23)33(28,29)26-15-5-7-19-6-3-4-8-22(19)26/h3-4,6,8-14,16H,5,7,15,17H2,1-2H3