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2-[4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanoic acid

2-[4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanoic acid

Systemtic Name:2-[4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanoic acid
Openeye Name:2-[4-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]acetic acid
CAS Name:2-[4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetic acid
IUPAC Name:2-[4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetic acid
Traditional Name:2-[4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)phenyl]acetic acid
Formula: C20H20N2O5S
MolecularWeight: 400.4482
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)CC(=O)O)OCC


Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)CC(=O)O)OCC


InChI

InChI=1S/C20H20N2O5S/c1-3-26-16-10-14-15(11-17(16)27-4-2)21-20(28)22(19(14)25)13-7-5-12(6-8-13)9-18(23)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,28)(H,23,24)


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