S-[13-[[2-(2-methylpyridin-4-yl)-6-oxidanyl-phenyl]amino]-13-oxidanylidene-tridecyl] ethanethioate

Systemtic Name: S-[13-[[2-(2-methylpyridin-4-yl)-6-oxidanyl-phenyl]amino]-13-oxidanylidene-tridecyl] ethanethioate Openeye Name: S-[13-[2-hydroxy-6-(2-methyl-4-pyridyl)anilino]-13-oxo-tridecyl] ethanethioate CAS Name: ethanethioic acid S-[13-[2-hydroxy-6-(2-methyl-4-pyridinyl)anilino]-13-oxotridecyl] ester IUPAC Name: S-[13-[2-hydroxy-6-(2-methylpyridin-4-yl)anilino]-13-oxotridecyl] ethanethioate Traditional Name: ethanethioic acid S-[13-[2-hydroxy-6-(2-methyl-4-pyridyl)anilino]-13-keto-tridecyl] ester Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=C(C(=CC=C2)O)NC(=O)CCCCCCCCCCCCSC(=O)C

Isomeric SMILES

CC1=NC=CC(=C1)C2=C(C(=CC=C2)O)NC(=O)CCCCCCCCCCCCSC(=O)C

InChI

InChI=1S/C27H38N2O3S/c1-21-20-23(17-18-28-21)24-14-13-15-25(31)27(24)29-26(32)16-11-9-7-5-3-4-6-8-10-12-19-33-22(2)30/h13-15,17-18,20,31H,3-12,16,19H2,1-2H3,(H,29,32)