2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyltetradecanoic acid

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyltetradecanoic acid Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyltetradecanoic acid CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]tetradecanoic acid IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyltetradecanoic acid Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]myristic acid Formula: C23H37NO3S MolecularWeight: 407.60978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)O)SCC(=O)NC1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)O)SCC(=O)NC1=CC=CC(=C1)C

InChI

InChI=1S/C23H37NO3S/c1-3-4-5-6-7-8-9-10-11-12-16-21(23(26)27)28-18-22(25)24-20-15-13-14-19(2)17-20/h13-15,17,21H,3-12,16,18H2,1-2H3,(H,24,25)(H,26,27)