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

Systemtic Name: methyl (4S)-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H20BrNO3S MolecularWeight: 410.3253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3S/c1-4-13-10(19)8-14(24-13)17-15(18(22)23-3)9(2)20-11-6-5-7-12(21)16(11)17/h8,16-17H,4-7H2,1-3H3/t16?,17-/m1/s1