[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC#C)NC(=O)C2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC#C)NC(=O)C2=CC=CS2)OC

InChI

InChI=1S/C19H18N2O6S/c1-4-7-20-17(22)11-27-19(24)12-9-14(25-2)15(26-3)10-13(12)21-18(23)16-6-5-8-28-16/h1,5-6,8-10H,7,11H2,2-3H3,(H,20,22)(H,21,23)