diethyl 5-azanyl-3-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C(=O)OCC)N

InChI

InChI=1S/C22H25N3O5S2/c1-5-29-20(27)16-14(17(32-18(16)23)21(28)30-6-2)11-31-22-24-15-10-8-7-9-13(15)19(26)25(22)12(3)4/h7-10,12H,5-6,11,23H2,1-4H3