[2-ethoxy-4-(4-oxidanylidene-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl] thiophene-2-carboxylate

Systemtic Name: [2-ethoxy-4-(4-oxidanylidene-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl] thiophene-2-carboxylate Openeye Name: [2-ethoxy-4-(4-oxo-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-yl)phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-ethoxy-4-(4-oxo-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl] ester IUPAC Name: [2-ethoxy-4-(4-oxo-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-ethoxy-4-(4-keto-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-yl)phenyl] ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC(=O)C5=CC=CS5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC(=O)C5=CC=CS5

InChI

InChI=1S/C23H22N2O4S2/c1-2-28-16-12-13(9-10-15(16)29-23(27)18-8-5-11-30-18)20-24-21(26)19-14-6-3-4-7-17(14)31-22(19)25-20/h5,8-12,20,25H,2-4,6-7H2,1H3,(H,24,26)