3-methylbutyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: 3-methylbutyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate Openeye Name: isopentyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid isoamyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CC(C)CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C24H29NO4S/c1-17(2)12-13-29-24(28)20-10-7-11-22(15-20)25-23(27)21(16-30-18(3)26)14-19-8-5-4-6-9-19/h4-11,15,17,21H,12-14,16H2,1-3H3,(H,25,27)