(phenylmethyl) 2-[methyl-[3-(2-methylpropylsulfanyl)propyl]carbamoyl]oxy-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[methyl-[3-(2-methylpropylsulfanyl)propyl]carbamoyl]oxy-3-phenyl-propanoate Openeye Name: benzyl 2-[3-isobutylsulfanylpropyl(methyl)carbamoyl]oxy-3-phenyl-propanoate CAS Name: 2-[[methyl-[3-(2-methylpropylthio)propyl]amino]-oxomethoxy]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[methyl-[3-(2-methylpropylsulfanyl)propyl]carbamoyl]oxy-3-phenylpropanoate Traditional Name: 2-[3-(isobutylthio)propyl-methyl-carbamoyl]oxy-3-phenyl-propionic acid benzyl ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCCN(C)C(=O)OC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CSCCCN(C)C(=O)OC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H33NO4S/c1-20(2)19-31-16-10-15-26(3)25(28)30-23(17-21-11-6-4-7-12-21)24(27)29-18-22-13-8-5-9-14-22/h4-9,11-14,20,23H,10,15-19H2,1-3H3