methyl 2-[2-(4-azanylidene-3-cyano-2-oxidanylidene-pentyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-azanylidene-3-cyano-2-oxidanylidene-pentyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-cyano-4-imino-2-oxo-pentyl)sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[(3-cyano-4-imino-2-oxopentyl)thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-cyano-4-imino-2-oxopentyl)sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[(3-cyano-4-imino-2-keto-pentyl)thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

InChI

InChI=1S/C17H16N4O4S/c1-10(19)12(7-18)14(22)9-26-17-20-13-6-4-3-5-11(13)16(24)21(17)8-15(23)25-2/h3-6,12,19H,8-9H2,1-2H3