2-ethoxyethyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-ethoxyethyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethoxyethyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-4-(3-hydroxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)N=C1C)C4=CC(=CC=C4)O

Isomeric SMILES

CCOCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CS3)N=C1C)C4=CC(=CC=C4)O

InChI

InChI=1S/C25H27NO5S/c1-3-30-9-10-31-25(29)22-15(2)26-19-13-17(21-8-5-11-32-21)14-20(28)24(19)23(22)16-6-4-7-18(27)12-16/h4-8,11-12,17,22-23,27H,3,9-10,13-14H2,1-2H3/t17-,22?,23-/m0/s1