ethyl 4-(5-chloranylthiophen-2-yl)-3-ethanoyl-7-methyl-2-oxidanylidene-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate

Systemtic Name: ethyl 4-(5-chloranylthiophen-2-yl)-3-ethanoyl-7-methyl-2-oxidanylidene-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate Openeye Name: ethyl 3-acetyl-4-(5-chloro-2-thienyl)-7-methyl-2-oxo-1H-benzothiopheno[3,2-b]pyridine-9-carboxylate CAS Name: 3-acetyl-4-(5-chloro-2-thiophenyl)-7-methyl-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-4-(5-chlorothiophen-2-yl)-7-methyl-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate Traditional Name: 3-acetyl-4-(5-chloro-2-thienyl)-2-keto-7-methyl-1H-benzothiopheno[3,2-b]pyridine-9-carboxylic acid ethyl ester Formula: C21H16ClNO4S2 MolecularWeight: 445.93904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C3=C(S2)C(=C(C(=O)N3)C(=O)C)C4=CC=C(S4)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C3=C(S2)C(=C(C(=O)N3)C(=O)C)C4=CC=C(S4)Cl)C

InChI

InChI=1S/C21H16ClNO4S2/c1-4-27-21(26)11-7-9(2)8-13-16(11)18-19(29-13)17(12-5-6-14(22)28-12)15(10(3)24)20(25)23-18/h5-8H,4H2,1-3H3,(H,23,25)