[2-methoxy-4-(4-oxidanylidene-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl] adamantane-1-carboxylate

Systemtic Name: [2-methoxy-4-(4-oxidanylidene-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl] adamantane-1-carboxylate Openeye Name: [2-methoxy-4-(4-oxo-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-methoxy-4-(4-oxo-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl] ester IUPAC Name: [2-methoxy-4-(4-oxo-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-(4-keto-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)-2-methoxy-phenyl] ester Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC3=C(C4=CC=CC=C4S3)C(=O)N2)OC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC3=C(C4=CC=CC=C4S3)C(=O)N2)OC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H26N2O4S/c1-33-21-11-18(24-29-25(31)23-19-4-2-3-5-22(19)35-26(23)30-24)6-7-20(21)34-27(32)28-12-15-8-16(13-28)10-17(9-15)14-28/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,29,30,31)