ethyl 2-formamido-3-methyl-3-(phenylmethylsulfanyl)octanoate

Systemtic Name: ethyl 2-formamido-3-methyl-3-(phenylmethylsulfanyl)octanoate Openeye Name: ethyl 3-benzylsulfanyl-2-formamido-3-methyl-octanoate CAS Name: 2-formamido-3-methyl-3-(phenylmethylthio)octanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-formamido-3-methyloctanoate Traditional Name: 3-(benzylthio)-2-formamido-3-methyl-caprylic acid ethyl ester Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C(C(=O)OCC)NC=O)SCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C)(C(C(=O)OCC)NC=O)SCC1=CC=CC=C1

InChI

InChI=1S/C19H29NO3S/c1-4-6-10-13-19(3,17(20-15-21)18(22)23-5-2)24-14-16-11-8-7-9-12-16/h7-9,11-12,15,17H,4-6,10,13-14H2,1-3H3,(H,20,21)