methyl 4-[[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoate

Systemtic Name: methyl 4-[[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoate Openeye Name: methyl 4-[[(1S)-2-(cyclohexylamino)-2-oxo-1-(3-pyridyl)ethyl]-[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4-[[(1S)-2-(cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl]-(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4-[[(1S)-2-(cyclohexylamino)-2-keto-1-(3-pyridyl)ethyl]-[2-(2-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-34-27(33)19-11-13-22(14-12-19)30(24(31)17-23-10-6-16-35-23)25(20-7-5-15-28-18-20)26(32)29-21-8-3-2-4-9-21/h5-7,10-16,18,21,25H,2-4,8-9,17H2,1H3,(H,29,32)/t25-/m0/s1