ethyl 4,5-dimethyl-2-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC

InChI

InChI=1S/C22H25N3O4S2/c1-5-11-25-20(27)15-9-7-8-10-16(15)23-22(25)30-12-17(26)24-19-18(21(28)29-6-2)13(3)14(4)31-19/h7-10H,5-6,11-12H2,1-4H3,(H,24,26)