O2-ethyl O4-methyl 3-methyl-5-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[3-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(4-keto-3-methyl-quinazolin-2-yl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2C)C(=O)OC)C

InChI

InChI=1S/C22H23N3O6S2/c1-5-31-21(29)17-12(2)16(20(28)30-4)18(33-17)24-15(26)10-11-32-22-23-14-9-7-6-8-13(14)19(27)25(22)3/h6-9H,5,10-11H2,1-4H3,(H,24,26)