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

Systemtic Name: ethyl 5-azanyl-3-[[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H17ClN4O3S2 MolecularWeight: 496.98908

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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)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H17ClN4O3S2/c1-2-31-22(30)19-17(16(11-25)20(26)33-19)12-32-23-27-18-9-4-3-8-15(18)21(29)28(23)14-7-5-6-13(24)10-14/h3-10H,2,12,26H2,1H3