[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C17H18ClNO6S MolecularWeight: 399.84592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC=C(S2)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC=C(S2)Cl)OC)OC

InChI

InChI=1S/C17H18ClNO6S/c1-22-11-7-13(24-3)12(23-2)6-10(11)8-19-16(20)9-25-17(21)14-4-5-15(18)26-14/h4-7H,8-9H2,1-3H3,(H,19,20)