2-(8-oxidanyl-4-oxidanylidene-2-thiophen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethyl thiophene-2-carboxylate

Systemtic Name: 2-(8-oxidanyl-4-oxidanylidene-2-thiophen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethyl thiophene-2-carboxylate Openeye Name: 2-[8-hydroxy-4-oxo-2-(2-thienyl)benzothiopheno[2,3-d]pyrimidin-3-yl]ethyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 2-(8-hydroxy-4-oxo-2-thiophen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethyl ester IUPAC Name: 2-(8-hydroxy-4-oxo-2-thiophen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-[8-hydroxy-4-keto-2-(2-thienyl)benzothiopheno[2,3-d]pyrimidin-3-yl]ethyl ester Formula: C21H14N2O4S3 MolecularWeight: 454.54186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)SC3=C2C(=O)N(C(=N3)C4=CC=CS4)CCOC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC2=C(C(=C1)O)SC3=C2C(=O)N(C(=N3)C4=CC=CS4)CCOC(=O)C5=CC=CS5

InChI

InChI=1S/C21H14N2O4S3/c24-13-5-1-4-12-16-19(30-17(12)13)22-18(14-6-2-10-28-14)23(20(16)25)8-9-27-21(26)15-7-3-11-29-15/h1-7,10-11,24H,8-9H2