[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-24-13-3-4-15(25-2)14(9-13)20-16(21)10-26-17(22)5-7-19-18(23)12-6-8-27-11-12/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,19,23)(H,20,21)