ethyl 4-tert-butyl-3-ethanoyl-7-methyl-2-oxidanylidene-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate

Systemtic Name: ethyl 4-tert-butyl-3-ethanoyl-7-methyl-2-oxidanylidene-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate Openeye Name: ethyl 3-acetyl-4-tert-butyl-7-methyl-2-oxo-1H-benzothiopheno[3,2-b]pyridine-9-carboxylate CAS Name: 3-acetyl-4-tert-butyl-7-methyl-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-4-tert-butyl-7-methyl-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate Traditional Name: 3-acetyl-4-tert-butyl-2-keto-7-methyl-1H-benzothiopheno[3,2-b]pyridine-9-carboxylic acid ethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C3=C(S2)C(=C(C(=O)N3)C(=O)C)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C3=C(S2)C(=C(C(=O)N3)C(=O)C)C(C)(C)C)C

InChI

InChI=1S/C21H23NO4S/c1-7-26-20(25)12-8-10(2)9-13-15(12)17-18(27-13)16(21(4,5)6)14(11(3)23)19(24)22-17/h8-9H,7H2,1-6H3,(H,22,24)