[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H22ClNO5S MolecularWeight: 411.89968

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC2=CC=CS2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC2=CC=CS2)OCC

InChI

InChI=1S/C19H22ClNO5S/c1-3-7-25-18-15(20)9-13(10-16(18)24-4-2)19(23)26-12-17(22)21-11-14-6-5-8-27-14/h5-6,8-10H,3-4,7,11-12H2,1-2H3,(H,21,22)