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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

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