[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2CC2)NC(=O)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2CC2)NC(=O)CC3=CC=CS3)OC

InChI

InChI=1S/C20H22N2O6S/c1-26-16-9-14(20(25)28-11-19(24)21-12-5-6-12)15(10-17(16)27-2)22-18(23)8-13-4-3-7-29-13/h3-4,7,9-10,12H,5-6,8,11H2,1-2H3,(H,21,24)(H,22,23)