ethyl 3-(phenethylcarbamoylamino)-3-phenyl-2-[(phenylmethylsulfanyl)methyl]propanoate

Systemtic Name: ethyl 3-(phenethylcarbamoylamino)-3-phenyl-2-[(phenylmethylsulfanyl)methyl]propanoate Openeye Name: ethyl 2-(benzylsulfanylmethyl)-3-(phenethylcarbamoylamino)-3-phenyl-propanoate CAS Name: 3-[[oxo-(phenethylamino)methyl]amino]-3-phenyl-2-[(phenylmethylthio)methyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfanylmethyl)-3-(phenethylcarbamoylamino)-3-phenylpropanoate Traditional Name: 2-[(benzylthio)methyl]-3-(phenethylcarbamoylamino)-3-phenyl-propionic acid ethyl ester Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)C(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)C(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O3S/c1-2-33-27(31)25(21-34-20-23-14-8-4-9-15-23)26(24-16-10-5-11-17-24)30-28(32)29-19-18-22-12-6-3-7-13-22/h3-17,25-26H,2,18-21H2,1H3,(H2,29,30,32)