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

Systemtic Name: phenethyl (4R,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4R,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-7-(3,4-dimethoxyphenyl)-5-keto-2-methyl-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C31H31NO5S MolecularWeight: 529.64654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=CS4)C(=O)CC(C2)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=CS4)C(=O)C[C@@H](C2)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C31H31NO5S/c1-19-28(31(34)37-14-13-20-8-5-4-6-9-20)30(27-10-7-15-38-27)29-23(32-19)16-22(17-24(29)33)21-11-12-25(35-2)26(18-21)36-3/h4-12,15,18,22,28,30H,13-14,16-17H2,1-3H3/t22-,28?,30-/m1/s1