methyl 3-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CC3=CSC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CC3=CSC=C3)OC

InChI

InChI=1S/C26H28N2O6S/c1-32-22-6-4-17(12-23(22)33-2)5-7-24(29)27-15-19-10-20(26(31)34-3)14-21(11-19)28-25(30)13-18-8-9-35-16-18/h4,6,8-12,14,16H,5,7,13,15H2,1-3H3,(H,27,29)(H,28,30)