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

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

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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(=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H22N4O3S2/c1-4-32-24(31)21-18(17(12-26)22(27)34-21)13-33-25-28-19-10-6-5-9-16(19)23(30)29(25)20-11-7-8-14(2)15(20)3/h5-11H,4,13,27H2,1-3H3