(5S)-1-(2-dimethylaminoethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (5S)-1-(2-dimethylaminoethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-1-(2-dimethylaminoethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-hydroxy-methylene]-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (5S)-1-(2-dimethylaminoethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-hydroxymethylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (5S)-1-(2-dimethylaminoethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-hydroxymethylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (5S)-1-(2-dimethylaminoethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-hydroxy-methylene]-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)O

Isomeric SMILES

CC1=C(C(=NN1)C)C(=C2[C@H](N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)O

InChI

InChI=1S/C18H22N4O3S/c1-10-13(11(2)20-19-10)16(23)14-15(12-6-5-9-26-12)22(8-7-21(3)4)18(25)17(14)24/h5-6,9,15,23H,7-8H2,1-4H3,(H,19,20)/t15-/m1/s1