[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC2=CC=CS2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC2=CC=CS2)OC

InChI

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