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

Systemtic Name: dimethyl 5-azanyl-3-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C20H21N3O5S2/c1-10(2)23-17(24)11-7-5-6-8-13(11)22-20(23)29-9-12-14(18(25)27-3)16(21)30-15(12)19(26)28-4/h5-8,10H,9,21H2,1-4H3