3-cyanopropyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: 3-cyanopropyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: 3-cyanopropyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid 3-cyanopropyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCCC#N)NC(=O)C2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCCC#N)NC(=O)C2=CC=CS2)OC

InChI

InChI=1S/C18H18N2O5S/c1-23-14-10-12(18(22)25-8-4-3-7-19)13(11-15(14)24-2)20-17(21)16-6-5-9-26-16/h5-6,9-11H,3-4,8H2,1-2H3,(H,20,21)