[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C17H18BrNO5S MolecularWeight: 428.29752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCC2=CC=CS2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCC2=CC=CS2)OC

InChI

InChI=1S/C17H18BrNO5S/c1-3-23-16-13(18)7-11(8-14(16)22-2)17(21)24-10-15(20)19-9-12-5-4-6-25-12/h4-8H,3,9-10H2,1-2H3,(H,19,20)