2-[1-[(3,4-dichlorophenyl)methyl]-5-ethyl-6-methyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(3,4-dichlorophenyl)methyl]-5-ethyl-6-methyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[1-[(3,4-dichlorophenyl)methyl]-5-ethyl-6-methyl-2-oxo-4-thioxo-quinazolin-3-yl]acetic acid CAS Name: 2-[1-[(3,4-dichlorophenyl)methyl]-5-ethyl-6-methyl-2-oxo-4-sulfanylidene-3-quinazolinyl]acetic acid IUPAC Name: 2-[1-[(3,4-dichlorophenyl)methyl]-5-ethyl-6-methyl-2-oxo-4-sulfanylidenequinazolin-3-yl]acetic acid Traditional Name: 2-[1-(3,4-dichlorobenzyl)-5-ethyl-2-keto-6-methyl-4-thioxo-quinazolin-3-yl]acetic acid Formula: C20H18Cl2N2O3S MolecularWeight: 437.33952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=S)N(C(=O)N2CC3=CC(=C(C=C3)Cl)Cl)CC(=O)O)C

Isomeric SMILES

CCC1=C(C=CC2=C1C(=S)N(C(=O)N2CC3=CC(=C(C=C3)Cl)Cl)CC(=O)O)C

InChI

InChI=1S/C20H18Cl2N2O3S/c1-3-13-11(2)4-7-16-18(13)19(28)24(10-17(25)26)20(27)23(16)9-12-5-6-14(21)15(22)8-12/h4-8H,3,9-10H2,1-2H3,(H,25,26)