ethyl 4-[[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoate

Systemtic Name: ethyl 4-[[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoate Openeye Name: ethyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4-[[(1R)-2-(cyclohexylamino)-2-keto-1-(2-thienyl)ethyl]-[2-(2-thienyl)acetyl]amino]benzoic acid ethyl ester Formula: C27H30N2O4S2 MolecularWeight: 510.6681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S2/c1-2-33-27(32)19-12-14-21(15-13-19)29(24(30)18-22-10-6-16-34-22)25(23-11-7-17-35-23)26(31)28-20-8-4-3-5-9-20/h6-7,10-17,20,25H,2-5,8-9,18H2,1H3,(H,28,31)/t25-/m0/s1