methyl 3-[[3-(cyclohexylcarbonylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[3-(cyclohexylcarbonylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H26N2O4S/c1-28-20(25)14-18(19-11-6-12-29-19)24-22(27)16-9-5-10-17(13-16)23-21(26)15-7-3-2-4-8-15/h5-6,9-13,15,18H,2-4,7-8,14H2,1H3,(H,23,26)(H,24,27)