methyl 2-cyano-2-[3-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylquinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylquinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylquinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(4-oxo-3-propyl-2-quinazolinyl)thio]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(4-oxo-3-propylquinazolin-2-yl)sulfanylquinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[(4-keto-3-propyl-quinazolin-2-yl)thio]quinoxalin-2-yl]acetic acid methyl ester Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

InChI

InChI=1S/C23H19N5O3S/c1-3-12-28-21(29)14-8-4-5-9-16(14)27-23(28)32-20-19(15(13-24)22(30)31-2)25-17-10-6-7-11-18(17)26-20/h4-11,15H,3,12H2,1-2H3