ethyl (4S)-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4S)-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(4-bromo-5-ethyl-2-thienyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-bromo-5-ethyl-2-thiophenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-bromo-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-bromo-5-ethyl-2-thienyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-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)C2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)(C)C)Br

Isomeric SMILES

CCC1=C(C=C(S1)[C@H]2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)(C)C)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/h8,18-19H,6-7,9-10H2,1-5H3/t18?,19-/m1/s1