(phenylmethyl) 2-[methyl(2-propan-2-ylsulfanylethyl)carbamoyl]oxy-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[methyl(2-propan-2-ylsulfanylethyl)carbamoyl]oxy-3-phenyl-propanoate Openeye Name: benzyl 2-[2-isopropylsulfanylethyl(methyl)carbamoyl]oxy-3-phenyl-propanoate CAS Name: 2-[[methyl-[2-(propan-2-ylthio)ethyl]amino]-oxomethoxy]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[methyl(2-propan-2-ylsulfanylethyl)carbamoyl]oxy-3-phenylpropanoate Traditional Name: 2-[2-(isopropylthio)ethyl-methyl-carbamoyl]oxy-3-phenyl-propionic acid benzyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-18(2)29-15-14-24(3)23(26)28-21(16-19-10-6-4-7-11-19)22(25)27-17-20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3