ethyl (4S)-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl (4S)-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(4-bromo-5-ethyl-2-thienyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-4-(4-bromo-5-ethyl-2-thiophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-bromo-5-ethylthiophen-2-yl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-4-(4-bromo-5-ethyl-2-thienyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C3C(=NC(=C2C(=O)OCC)C)CCCC3=O)Br

Isomeric SMILES

CCC1=C(C=C(S1)[C@H]2C3C(=NC(=C2C(=O)OCC)C)CCCC3=O)Br

InChI

InChI=1S/C19H22BrNO3S/c1-4-14-11(20)9-15(25-14)18-16(19(23)24-5-2)10(3)21-12-7-6-8-13(22)17(12)18/h9,17-18H,4-8H2,1-3H3/t17?,18-/m1/s1