methyl 5-(2-hexylsulfanyldecanoylamino)-6-methoxy-quinoline-4-carboxylate

Systemtic Name: methyl 5-(2-hexylsulfanyldecanoylamino)-6-methoxy-quinoline-4-carboxylate Openeye Name: methyl 5-(2-hexylsulfanyldecanoylamino)-6-methoxy-quinoline-4-carboxylate CAS Name: 5-[[2-(hexylthio)-1-oxodecyl]amino]-6-methoxy-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2-hexylsulfanyldecanoylamino)-6-methoxyquinoline-4-carboxylate Traditional Name: 5-[2-(hexylthio)decanoylamino]-6-methoxy-cinchoninic acid methyl ester Formula: C28H42N2O4S MolecularWeight: 502.70908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=C(C=CC2=NC=CC(=C21)C(=O)OC)OC)SCCCCCC

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=C(C=CC2=NC=CC(=C21)C(=O)OC)OC)SCCCCCC

InChI

InChI=1S/C28H42N2O4S/c1-5-7-9-11-12-13-15-24(35-20-14-10-8-6-2)27(31)30-26-23(33-3)17-16-22-25(26)21(18-19-29-22)28(32)34-4/h16-19,24H,5-15,20H2,1-4H3,(H,30,31)