(2S)-2-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3-bromophenyl)-1-(2-morpholinoethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(3-bromophenyl)-1-[2-(4-morpholinyl)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3-bromophenyl)-2-keto-1-(2-morpholinoethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H20BrN2O4S- MolecularWeight: 476.3635

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CCN2[C@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN2O4S/c22-15-4-1-3-14(13-15)18-17(19(25)16-5-2-12-29-16)20(26)21(27)24(18)7-6-23-8-10-28-11-9-23/h1-5,12-13,18,26H,6-11H2/p-1/t18-/m0/s1