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

Systemtic Name: ethyl 4-cyano-5-[3-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C#N

InChI

InChI=1S/C22H22N4O4S2/c1-4-26-20(28)14-8-6-7-9-16(14)24-22(26)31-11-10-17(27)25-19-15(12-23)13(3)18(32-19)21(29)30-5-2/h6-9H,4-5,10-11H2,1-3H3,(H,25,27)