methyl 4,5-dimethoxy-2-[3-(thiophen-2-ylcarbonylamino)propanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[3-(thiophen-2-ylcarbonylamino)propanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[3-(thiophene-2-carbonylamino)propanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[3-(thiophene-2-carbonylamino)propanoylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[3-(2-thenoylamino)propanoylamino]benzoic acid methyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCNC(=O)C2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCNC(=O)C2=CC=CS2)OC

InChI

InChI=1S/C18H20N2O6S/c1-24-13-9-11(18(23)26-3)12(10-14(13)25-2)20-16(21)6-7-19-17(22)15-5-4-8-27-15/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)(H,20,21)