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

Systemtic Name: diethyl 5-azanyl-3-[(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3-ethyl-4-oxo-2-quinazolinyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(3-ethyl-4-keto-quinazolin-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C(=O)OCC)N)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C(=O)OCC)N)C(=O)OCC

InChI

InChI=1S/C21H23N3O5S2/c1-4-24-18(25)12-9-7-8-10-14(12)23-21(24)30-11-13-15(19(26)28-5-2)17(22)31-16(13)20(27)29-6-3/h7-10H,4-6,11,22H2,1-3H3