methyl 4-(4-bromanyl-5-ethyl-thiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-(4-bromanyl-5-ethyl-thiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(4-bromo-5-ethyl-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-bromo-5-ethyl-2-thiophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromo-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-bromo-5-ethyl-2-thienyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H24BrNO3S MolecularWeight: 438.37846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OC)C)(C)C)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OC)C)(C)C)Br

InChI

InChI=1S/C20H24BrNO3S/c1-6-14-11(21)7-15(26-14)18-16(19(24)25-5)10(2)22-12-8-20(3,4)9-13(23)17(12)18/h7-8,17-18,22H,6,9H2,1-5H3