methyl 12-[[2-(4-ethoxy-4-oxidanylidene-butyl)sulfanylphenyl]amino]-12-oxidanylidene-dodecanoate

Systemtic Name: methyl 12-[[2-(4-ethoxy-4-oxidanylidene-butyl)sulfanylphenyl]amino]-12-oxidanylidene-dodecanoate Openeye Name: methyl 12-[2-(4-ethoxy-4-oxo-butyl)sulfanylanilino]-12-oxo-dodecanoate CAS Name: 12-[2-[(4-ethoxy-4-oxobutyl)thio]anilino]-12-oxododecanoic acid methyl ester IUPAC Name: methyl 12-[2-(4-ethoxy-4-oxobutyl)sulfanylanilino]-12-oxododecanoate Traditional Name: 12-[2-[(4-ethoxy-4-keto-butyl)thio]anilino]-12-keto-lauric acid methyl ester Formula: C25H39NO5S MolecularWeight: 465.64586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=CC=CC=C1NC(=O)CCCCCCCCCCC(=O)OC

Isomeric SMILES

CCOC(=O)CCCSC1=CC=CC=C1NC(=O)CCCCCCCCCCC(=O)OC

InChI

InChI=1S/C25H39NO5S/c1-3-31-25(29)19-14-20-32-22-16-13-12-15-21(22)26-23(27)17-10-8-6-4-5-7-9-11-18-24(28)30-2/h12-13,15-16H,3-11,14,17-20H2,1-2H3,(H,26,27)