methyl 4-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-hexyl-4-oxo-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-hexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-hexyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O3S/c1-3-4-5-8-15-25-21(26)19-9-6-7-10-20(19)24-23(25)29-16-17-11-13-18(14-12-17)22(27)28-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3