[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C17H18ClNO6S MolecularWeight: 399.84592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CC=C(S2)Cl

InChI

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