[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl] thiophene-3-carboxylate

Systemtic Name: [2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl] thiophene-3-carboxylate Openeye Name: [2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl] thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [2-[(4-benzoxy-3-methoxy-benzyl)amino]-2-keto-ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)COC(=O)C2=CSC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)COC(=O)C2=CSC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/c1-26-20-11-17(7-8-19(20)27-13-16-5-3-2-4-6-16)12-23-21(24)14-28-22(25)18-9-10-29-15-18/h2-11,15H,12-14H2,1H3,(H,23,24)