(2S)-2-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3,4-dichlorophenyl)-1-(3-morpholinopropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(3,4-dichlorophenyl)-1-[3-(4-morpholinyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3,4-dichlorophenyl)-2-keto-1-(3-morpholinopropyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H21Cl2N2O4S- MolecularWeight: 480.38414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1COCCN1CCCN2[C@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O4S/c23-15-5-4-14(13-16(15)24)19-18(20(27)17-3-1-12-31-17)21(28)22(29)26(19)7-2-6-25-8-10-30-11-9-25/h1,3-5,12-13,19,28H,2,6-11H2/p-1/t19-/m0/s1