methyl 5-[bis(2-cyclohexylethyl)amino]-4-(naphthalen-2-ylsulfanylmethyl)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[bis(2-cyclohexylethyl)amino]-4-(naphthalen-2-ylsulfanylmethyl)-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[bis(2-cyclohexylethyl)amino]-4-(2-naphthylsulfanylmethyl)-5-oxo-pentanoate CAS Name: 5-[bis(2-cyclohexylethyl)amino]-4-[(2-naphthalenylthio)methyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[bis(2-cyclohexylethyl)amino]-4-(naphthalen-2-ylsulfanylmethyl)-5-oxopentanoate Traditional Name: 5-[bis(2-cyclohexylethyl)amino]-5-keto-4-[(2-naphthylthio)methyl]valeric acid methyl ester Formula: C33H47NO3S MolecularWeight: 537.79618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CSC1=CC2=CC=CC=C2C=C1)C(=O)N(CCC3CCCCC3)CCC4CCCCC4

Isomeric SMILES

COC(=O)CCC(CSC1=CC2=CC=CC=C2C=C1)C(=O)N(CCC3CCCCC3)CCC4CCCCC4

InChI

InChI=1S/C33H47NO3S/c1-37-32(35)19-17-30(25-38-31-18-16-28-14-8-9-15-29(28)24-31)33(36)34(22-20-26-10-4-2-5-11-26)23-21-27-12-6-3-7-13-27/h8-9,14-16,18,24,26-27,30H,2-7,10-13,17,19-23,25H2,1H3