(4-ethoxyphenyl) 2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: (4-ethoxyphenyl) 2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoate Openeye Name: (4-ethoxyphenyl) 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetic acid p-phenetyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C21H22N2O4S/c1-4-26-15-9-11-16(12-10-15)27-19(24)13-28-21-22-18-8-6-5-7-17(18)20(25)23(21)14(2)3/h5-12,14H,4,13H2,1-3H3