[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCCC2=CC=CS2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCCC2=CC=CS2)OC

InChI

InChI=1S/C18H20ClNO5S/c1-3-24-17-14(19)9-12(10-15(17)23-2)18(22)25-11-16(21)20-7-6-13-5-4-8-26-13/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,20,21)