quinolin-8-ylmethyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: quinolin-8-ylmethyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: 8-quinolylmethyl 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid 8-quinolylmethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC3=C2N=CC=C3)NC(=O)CC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC3=C2N=CC=C3)NC(=O)CC4=CC=CS4)OC

InChI

InChI=1S/C25H22N2O5S/c1-30-21-13-19(20(14-22(21)31-2)27-23(28)12-18-9-5-11-33-18)25(29)32-15-17-7-3-6-16-8-4-10-26-24(16)17/h3-11,13-14H,12,15H2,1-2H3,(H,27,28)