methyl 3-[[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoate

Systemtic Name: methyl 3-[[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoate Openeye Name: methyl 3-[[(1R)-2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 3-[[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 3-[[(1R)-2-(cyclohexylamino)-2-keto-1-(2-thienyl)ethyl]-[2-(2-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)CC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N([C@@H](C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C26H28N2O4S2/c1-32-26(31)18-8-5-11-20(16-18)28(23(29)17-21-12-6-14-33-21)24(22-13-7-15-34-22)25(30)27-19-9-3-2-4-10-19/h5-8,11-16,19,24H,2-4,9-10,17H2,1H3,(H,27,30)/t24-/m0/s1