methyl 2-[(2-methoxy-2-oxidanylidene-ethyl)-(3-methylsulfanyl-5-octadecoxy-phenyl)amino]ethanoate

Systemtic Name: methyl 2-[(2-methoxy-2-oxidanylidene-ethyl)-(3-methylsulfanyl-5-octadecoxy-phenyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-methoxy-2-oxo-ethyl)-3-methylsulfanyl-5-octadecoxy-anilino)acetate CAS Name: 2-[N-(2-methoxy-2-oxoethyl)-3-(methylthio)-5-octadecoxyanilino]acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-methoxy-2-oxoethyl)-3-methylsulfanyl-5-octadecoxyanilino)acetate Traditional Name: 2-[N-(2-keto-2-methoxy-ethyl)-3-(methylthio)-5-stearyloxy-anilino]acetic acid methyl ester Formula: C31H53NO5S MolecularWeight: 551.82122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)OC)CC(=O)OC)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)OC)CC(=O)OC)SC

InChI

InChI=1S/C31H53NO5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-37-28-22-27(23-29(24-28)38-4)32(25-30(33)35-2)26-31(34)36-3/h22-24H,5-21,25-26H2,1-4H3