methyl 5-(dipentylamino)-4-(naphthalen-2-ylsulfanylmethyl)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(dipentylamino)-4-(naphthalen-2-ylsulfanylmethyl)-5-oxidanylidene-pentanoate Openeye Name: methyl 5-(dipentylamino)-4-(2-naphthylsulfanylmethyl)-5-oxo-pentanoate CAS Name: 5-(dipentylamino)-4-[(2-naphthalenylthio)methyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(dipentylamino)-4-(naphthalen-2-ylsulfanylmethyl)-5-oxopentanoate Traditional Name: 5-(diamylamino)-5-keto-4-[(2-naphthylthio)methyl]valeric acid methyl ester Formula: C27H39NO3S MolecularWeight: 457.66846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)OC)CSC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)OC)CSC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C27H39NO3S/c1-4-6-10-18-28(19-11-7-5-2)27(30)24(15-17-26(29)31-3)21-32-25-16-14-22-12-8-9-13-23(22)20-25/h8-9,12-14,16,20,24H,4-7,10-11,15,17-19,21H2,1-3H3