methyl 4-[3-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[[4-(cyclopropylcarbamoyl)-2-quinolyl]sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]thio]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanyl-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[[4-(cyclopropylcarbamoyl)-2-quinolyl]thio]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

InChI

InChI=1S/C24H24N2O5S/c1-30-24(29)15-6-10-18(11-7-15)31-13-17(27)14-32-22-12-20(23(28)25-16-8-9-16)19-4-2-3-5-21(19)26-22/h2-7,10-12,16-17,27H,8-9,13-14H2,1H3,(H,25,28)