ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C20H20N4O3S2/c1-4-27-19(26)16-14(13(9-21)17(22)29-16)10-28-20-23-15-8-6-5-7-12(15)18(25)24(20)11(2)3/h5-8,11H,4,10,22H2,1-3H3