hexadecyl 4-oxidanylidene-4-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-butanoate

Systemtic Name: hexadecyl 4-oxidanylidene-4-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-butanoate Openeye Name: hexadecyl 4-oxo-4-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-butanoate CAS Name: 4-oxo-4-[(4-oxo-3-phenyl-2-quinazolinyl)thio]butanoic acid hexadecyl ester IUPAC Name: hexadecyl 4-oxo-4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanoate Traditional Name: 4-keto-4-[(4-keto-3-phenyl-quinazolin-2-yl)thio]butyric acid cetyl ester Formula: C34H46N2O4S MolecularWeight: 578.80504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C34H46N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-27-40-31(37)25-26-32(38)41-34-35-30-24-19-18-23-29(30)33(39)36(34)28-21-16-15-17-22-28/h15-19,21-24H,2-14,20,25-27H2,1H3