ethyl 6-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]thieno[3,2-b]thiophene-5-carboxylate

Systemtic Name: ethyl 6-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]thieno[3,2-b]thiophene-5-carboxylate Openeye Name: ethyl 6-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]thieno[3,2-b]thiophene-5-carboxylate CAS Name: 6-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-5-thieno[3,2-b]thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]thieno[3,2-b]thiophene-5-carboxylate Traditional Name: 6-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]thieno[3,2-b]thiophene-5-carboxylic acid ethyl ester Formula: C21H20N2O4S3 MolecularWeight: 460.5895

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H20N2O4S3/c1-2-27-20(26)18-14(17-16(30-18)8-11-28-17)12-29-21-22-15-7-4-3-6-13(15)19(25)23(21)9-5-10-24/h3-4,6-8,11,24H,2,5,9-10,12H2,1H3