methyl 4-methyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]pentanoate

Systemtic Name: methyl 4-methyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]pentanoate Openeye Name: methyl 4-methyl-2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoate Traditional Name: 4-methyl-2-[[2-phenyl-2-(phenylthio)acetyl]amino]valeric acid methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-15(2)14-18(21(24)25-3)22-20(23)19(16-10-6-4-7-11-16)26-17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3,(H,22,23)