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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C25H22N4O3S2 MolecularWeight: 490.59718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

InChI

InChI=1S/C25H22N4O3S2/c1-3-32-24(31)21-19(18(12-26)22(27)34-21)14-33-25-28-20-7-5-4-6-17(20)23(30)29(25)13-16-10-8-15(2)9-11-16/h4-11H,3,13-14,27H2,1-2H3