[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

Systemtic Name: [(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-2-oxo-1-(4-pyridyl)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate CAS Name: 4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] ester IUPAC Name: [(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid [(1R)-2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C1C(=O)OC(C3=CC=NC=C3)C(=O)NC4CCCCC4)SC=C2

Isomeric SMILES

CN1C2=C(C=C1C(=O)O[C@H](C3=CC=NC=C3)C(=O)NC4CCCCC4)SC=C2

InChI

InChI=1S/C21H23N3O3S/c1-24-16-9-12-28-18(16)13-17(24)21(26)27-19(14-7-10-22-11-8-14)20(25)23-15-5-3-2-4-6-15/h7-13,15,19H,2-6H2,1H3,(H,23,25)/t19-/m1/s1