methyl 4-methyl-3-[2-[3-(thiophen-3-ylcarbonylamino)propanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[3-(thiophen-3-ylcarbonylamino)propanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[3-(thiophene-3-carbonylamino)propanoyloxy]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[3-(thiophene-3-carbonylamino)propanoyloxy]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[3-(3-thenoylamino)propanoyloxy]acetyl]amino]benzoic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

InChI

InChI=1S/C19H20N2O6S/c1-12-3-4-13(19(25)26-2)9-15(12)21-16(22)10-27-17(23)5-7-20-18(24)14-6-8-28-11-14/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,20,24)(H,21,22)