2-[3-(2-acetamidoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(2-acetamidoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(2-acetamidoethyl)-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(2-acetamidoethyl)-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(2-acetamidoethyl)-4-keto-quinazolin-2-yl]thio]acetic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C14H15N3O4S/c1-9(18)15-6-7-17-13(21)10-4-2-3-5-11(10)16-14(17)22-8-12(19)20/h2-5H,6-8H2,1H3,(H,15,18)(H,19,20)