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

Systemtic Name: ethyl 3-ethanoyl-4,7-dimethyl-2-oxidanylidene-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate Openeye Name: ethyl 3-acetyl-4,7-dimethyl-2-oxo-1H-benzothiopheno[3,2-b]pyridine-9-carboxylate CAS Name: 3-acetyl-4,7-dimethyl-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-4,7-dimethyl-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate Traditional Name: 3-acetyl-2-keto-4,7-dimethyl-1H-benzothiopheno[3,2-b]pyridine-9-carboxylic acid ethyl ester Formula: C18H17NO4S MolecularWeight: 343.39688

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4S/c1-5-23-18(22)11-6-8(2)7-12-14(11)15-16(24-12)9(3)13(10(4)20)17(21)19-15/h6-7H,5H2,1-4H3,(H,19,21)