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

Systemtic Name: phenethyl (4S,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4S,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(2,3-dimethoxyphenyl)-5-keto-2-methyl-7-(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=C(C(=CC=C4)OC)OC)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=C(C(=CC=C4)OC)OC)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C31H31NO5S/c1-19-27(31(34)37-15-14-20-9-5-4-6-10-20)28(22-11-7-12-25(35-2)30(22)36-3)29-23(32-19)17-21(18-24(29)33)26-13-8-16-38-26/h4-13,16,21,27-28H,14-15,17-18H2,1-3H3/t21-,27?,28-/m1/s1