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

Systemtic Name: dimethyl 5-azanyl-3-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(2-furyl)quinazolin-4-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[2-(2-furanyl)-4-quinazolinyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[2-(2-furyl)quinazolin-4-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4)C(=O)OC)N

InChI

InChI=1S/C21H17N3O5S2/c1-27-20(25)15-12(16(21(26)28-2)31-17(15)22)10-30-19-11-6-3-4-7-13(11)23-18(24-19)14-8-5-9-29-14/h3-9H,10,22H2,1-2H3