methyl 2-(2,2-diphenylethanoylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-(2,2-diphenylethanoylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate CAS Name: 2-[(1-oxo-2,2-diphenylethyl)amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate Traditional Name: 3-(benzylthio)-2-[(2,2-diphenylacetyl)amino]propionic acid methyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO3S/c1-29-25(28)22(18-30-17-19-11-5-2-6-12-19)26-24(27)23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23H,17-18H2,1H3,(H,26,27)