(2S)-2-(4-dimethylaminophenyl)-5-oxidanylidene-1-(pyridin-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-5-oxidanylidene-1-(pyridin-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-dimethylaminophenyl)-5-oxo-1-(3-pyridylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-dimethylaminophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-(3-pyridinylmethyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-dimethylaminophenyl)-5-oxo-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(4-dimethylaminophenyl)-2-keto-1-(3-pyridylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C23H20N3O3S- MolecularWeight: 418.4882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC3=CN=CC=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N3O3S/c1-25(2)17-9-7-16(8-10-17)20-19(21(27)18-6-4-12-30-18)22(28)23(29)26(20)14-15-5-3-11-24-13-15/h3-13,20,28H,14H2,1-2H3/p-1/t20-/m0/s1