[(2S)-1-(3-morpholin-4-ylpropyl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2S)-1-(3-morpholin-4-ylpropyl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-1-(3-morpholinopropyl)-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-1-[3-(4-morpholinyl)propyl]-4,5-dioxo-2-thiophen-2-yl-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-4,5-diketo-1-(3-morpholinopropyl)-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C22H23N2O4S- MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C(C(=C(C3=CC=CC=C3)[O-])C(=O)C2=O)C4=CC=CS4

Isomeric SMILES

C1COCCN1CCCN2[C@@H](C(=C(C3=CC=CC=C3)[O-])C(=O)C2=O)C4=CC=CS4

InChI

InChI=1S/C22H24N2O4S/c25-20(16-6-2-1-3-7-16)18-19(17-8-4-15-29-17)24(22(27)21(18)26)10-5-9-23-11-13-28-14-12-23/h1-4,6-8,15,19,25H,5,9-14H2/p-1/t19-/m1/s1