(phenylmethyl) 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methyl-benzoate

Systemtic Name: (phenylmethyl) 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methyl-benzoate Openeye Name: benzyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-methylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-4-methyl-benzoic acid benzyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)CSC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)CSC(=O)C

InChI

InChI=1S/C27H27NO4S/c1-19-13-14-23(27(31)32-17-22-11-7-4-8-12-22)16-25(19)28-26(30)24(18-33-20(2)29)15-21-9-5-3-6-10-21/h3-14,16,24H,15,17-18H2,1-2H3,(H,28,30)