methyl 2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC

InChI

InChI=1S/C15H18N2O3S/c1-10(2)8-17-14(19)11-6-4-5-7-12(11)16-15(17)21-9-13(18)20-3/h4-7,10H,8-9H2,1-3H3