ethyl 5-ethanoyl-4-methyl-2-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C21H21N3O5S2/c1-5-29-20(28)16-11(2)17(12(3)25)31-18(16)23-15(26)10-30-21-22-14-9-7-6-8-13(14)19(27)24(21)4/h6-9H,5,10H2,1-4H3,(H,23,26)