5-(dipentylamino)-4-[(4-nitrophenyl)sulfanylmethyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(dipentylamino)-4-[(4-nitrophenyl)sulfanylmethyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(dipentylamino)-4-[(4-nitrophenyl)sulfanylmethyl]-5-oxo-pentanoic acid CAS Name: 5-(dipentylamino)-4-[[(4-nitrophenyl)thio]methyl]-5-oxopentanoic acid IUPAC Name: 5-(dipentylamino)-4-[(4-nitrophenyl)sulfanylmethyl]-5-oxopentanoic acid Traditional Name: 5-(diamylamino)-5-keto-4-[[(4-nitrophenyl)thio]methyl]valeric acid Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C22H34N2O5S/c1-3-5-7-15-23(16-8-6-4-2)22(27)18(9-14-21(25)26)17-30-20-12-10-19(11-13-20)24(28)29/h10-13,18H,3-9,14-17H2,1-2H3,(H,25,26)