(phenylmethyl) 5-[2-acetyloxyethyl(pentyl)amino]-4-(naphthalen-2-ylsulfanylmethyl)-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-[2-acetyloxyethyl(pentyl)amino]-4-(naphthalen-2-ylsulfanylmethyl)-5-oxidanylidene-pentanoate Openeye Name: benzyl 5-[2-acetoxyethyl(pentyl)amino]-4-(2-naphthylsulfanylmethyl)-5-oxo-pentanoate CAS Name: 5-[2-acetyloxyethyl(pentyl)amino]-4-[(2-naphthalenylthio)methyl]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[2-acetyloxyethyl(pentyl)amino]-4-(naphthalen-2-ylsulfanylmethyl)-5-oxopentanoate Traditional Name: 5-[2-acetoxyethyl(amyl)amino]-5-keto-4-[(2-naphthylthio)methyl]valeric acid benzyl ester Formula: C32H39NO5S MolecularWeight: 549.72076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCOC(=O)C)C(=O)C(CCC(=O)OCC1=CC=CC=C1)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCN(CCOC(=O)C)C(=O)C(CCC(=O)OCC1=CC=CC=C1)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C32H39NO5S/c1-3-4-10-19-33(20-21-37-25(2)34)32(36)29(16-18-31(35)38-23-26-11-6-5-7-12-26)24-39-30-17-15-27-13-8-9-14-28(27)22-30/h5-9,11-15,17,22,29H,3-4,10,16,18-21,23-24H2,1-2H3