ethyl 4-(4-bromanyl-5-ethyl-thiophen-2-yl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(4-bromanyl-5-ethyl-thiophen-2-yl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(4-bromo-5-ethyl-2-thienyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-bromo-5-ethyl-2-thiophenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-5-ethylthiophen-2-yl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-bromo-5-ethyl-2-thienyl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H26BrNO3S MolecularWeight: 452.40504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)OCC)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)OCC)Br

InChI

InChI=1S/C21H26BrNO3S/c1-6-15-12(22)8-16(27-15)19-17(20(25)26-7-2)11(3)23-13-9-21(4,5)10-14(24)18(13)19/h8,17,19,23H,3,6-7,9-10H2,1-2,4-5H3