methyl 3-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-bis(oxidanyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-bis(oxidanyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dihydroxy-phenyl]sulfanylpropanoate CAS Name: 3-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dihydroxyphenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dihydroxyphenyl]sulfanylpropanoate Traditional Name: 3-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dihydroxy-phenyl]thio]propionic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C(=C1)O)N2CCCC3=CC=CC=C32)O

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C(=C1)O)N2CCCC3=CC=CC=C32)O

InChI

InChI=1S/C19H21NO4S/c1-24-19(23)8-10-25-18-12-16(21)15(11-17(18)22)20-9-4-6-13-5-2-3-7-14(13)20/h2-3,5,7,11-12,21-22H,4,6,8-10H2,1H3