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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-2-quinazolinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C25H23N5O5S3 MolecularWeight: 569.67562

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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)N2CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H23N5O5S3/c1-2-35-24(32)21-19(18(13-26)22(27)37-21)14-36-25-29-20-6-4-3-5-17(20)23(31)30(25)12-11-15-7-9-16(10-8-15)38(28,33)34/h3-10H,2,11-12,14,27H2,1H3,(H2,28,33,34)