(E)-3-(4-oxidanylidene-6-propan-2-ylsulfanyl-quinazolin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-oxidanylidene-6-propan-2-ylsulfanyl-quinazolin-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-isopropylsulfanyl-4-oxo-quinazolin-3-yl)prop-2-enoic acid CAS Name: (E)-3-[4-oxo-6-(propan-2-ylthio)-3-quinazolinyl]-2-propenoic acid IUPAC Name: (E)-3-(4-oxo-6-propan-2-ylsulfanylquinazolin-3-yl)prop-2-enoic acid Traditional Name: (E)-3-[6-(isopropylthio)-4-keto-quinazolin-3-yl]acrylic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC2=C(C=C1)N=CN(C2=O)C=CC(=O)O

Isomeric SMILES

CC(C)SC1=CC2=C(C=C1)N=CN(C2=O)/C=C/C(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-9(2)20-10-3-4-12-11(7-10)14(19)16(8-15-12)6-5-13(17)18/h3-9H,1-2H3,(H,17,18)/b6-5+