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

Systemtic Name: ethyl 5-azanyl-3-[[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-3-[[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C27H26N4O3S2 MolecularWeight: 518.65034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(SC(=C4C#N)N)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(SC(=C4C#N)N)C(=O)OCC

InChI

InChI=1S/C27H26N4O3S2/c1-4-16(3)17-10-12-18(13-11-17)31-25(32)19-8-6-7-9-22(19)30-27(31)35-15-21-20(14-28)24(29)36-23(21)26(33)34-5-2/h6-13,16H,4-5,15,29H2,1-3H3