[(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [(1S)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1COCCN1C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H20N2O4S/c24-20(23-11-13-26-14-12-23)18(16-6-2-1-3-7-16)27-21(25)19-17(8-15-28-19)22-9-4-5-10-22/h1-10,15,18H,11-14H2/t18-/m0/s1