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

Systemtic Name: methyl 4-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-3-4-13-23-19(24)17-7-5-6-8-18(17)22-21(23)27-14-15-9-11-16(12-10-15)20(25)26-2/h5-12H,3-4,13-14H2,1-2H3