(5S)-1-(2-diethylaminoethyl)-4-[(3-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (5S)-1-(2-diethylaminoethyl)-4-[(3-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(4-benzyloxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (5S)-1-(2-diethylaminoethyl)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (5S)-1-(2-diethylaminoethyl)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[(4-benzoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)C)O)C(=O)C1=O)C4=CC=CS4

Isomeric SMILES

CCN(CC)CCN1[C@@H](C(=C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)C)O)C(=O)C1=O)C4=CC=CS4

InChI

InChI=1S/C29H32N2O4S/c1-4-30(5-2)15-16-31-26(24-12-9-17-36-24)25(28(33)29(31)34)27(32)22-13-14-23(20(3)18-22)35-19-21-10-7-6-8-11-21/h6-14,17-18,26,32H,4-5,15-16,19H2,1-3H3/t26-/m1/s1