ethyl 4-(5-iodanyl-2-methylsulfanyl-thiophen-3-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(5-iodanyl-2-methylsulfanyl-thiophen-3-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(5-iodo-2-methylsulfanyl-3-thienyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-[5-iodo-2-(methylthio)-3-thiophenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-iodo-2-methylsulfanylthiophen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-[5-iodo-2-(methylthio)-3-thienyl]-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C20H24INO3S2 MolecularWeight: 517.44393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=C(SC(=C3)I)SC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=C(SC(=C3)I)SC)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C20H24INO3S2/c1-6-25-18(24)15-10(2)22-12-8-20(3,4)9-13(23)17(12)16(15)11-7-14(21)27-19(11)26-5/h7,16,22H,6,8-9H2,1-5H3