methyl 4-methyl-2-[[2-phenyl-4-(2-sulfanylideneethanoyloxymethyl)phenyl]carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[[2-phenyl-4-(2-sulfanylideneethanoyloxymethyl)phenyl]carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[2-phenyl-4-[(2-thioxoacetyl)oxymethyl]benzoyl]amino]pentanoate CAS Name: 4-methyl-2-[[oxo-[4-[(1-oxo-2-sulfanylideneethoxy)methyl]-2-phenylphenyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-phenyl-4-[(2-sulfanylideneacetyl)oxymethyl]benzoyl]amino]pentanoate Traditional Name: 4-methyl-2-[[2-phenyl-4-[(2-thioxoacetyl)oxymethyl]benzoyl]amino]valeric acid methyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)COC(=O)C=S)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)COC(=O)C=S)C2=CC=CC=C2

InChI

InChI=1S/C23H25NO5S/c1-15(2)11-20(23(27)28-3)24-22(26)18-10-9-16(13-29-21(25)14-30)12-19(18)17-7-5-4-6-8-17/h4-10,12,14-15,20H,11,13H2,1-3H3,(H,24,26)