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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[4-keto-3-(m-tolyl)quinazolin-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C24H20N4O3S2 MolecularWeight: 476.5706

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O3S2/c1-3-31-23(30)20-18(17(12-25)21(26)33-20)13-32-24-27-19-10-5-4-9-16(19)22(29)28(24)15-8-6-7-14(2)11-15/h4-11H,3,13,26H2,1-2H3