[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-oxo-2-[1-(2-thienyl)ethylamino]ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-keto-2-[1-(2-thienyl)ethylamino]ethyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CS2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CS2)OC

InChI

InChI=1S/C21H27NO5S/c1-14(2)9-10-26-17-8-7-16(12-18(17)25-4)21(24)27-13-20(23)22-15(3)19-6-5-11-28-19/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,22,23)