1-cyanoethyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: 1-cyanoethyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: 1-cyanoethyl 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 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid 1-cyanoethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1NC(=O)CC2=CC=CS2)OC)OC

Isomeric SMILES

CC(C#N)OC(=O)C1=CC(=C(C=C1NC(=O)CC2=CC=CS2)OC)OC

InChI

InChI=1S/C18H18N2O5S/c1-11(10-19)25-18(22)13-8-15(23-2)16(24-3)9-14(13)20-17(21)7-12-5-4-6-26-12/h4-6,8-9,11H,7H2,1-3H3,(H,20,21)