N-[(3S)-2-oxidanylidenethiolan-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylidenethiolan-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(3S)-2-oxotetrahydrothiophen-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(3S)-2-oxo-3-thiolanyl]-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(3S)-2-oxothiolan-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(3S)-2-ketotetrahydrothiophen-3-yl]-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCSC4=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@H]4CCSC4=O

InChI

InChI=1S/C23H22N2O5S/c1-28-19-10-13(11-20(29-2)21(19)30-3)18-12-15(14-6-4-5-7-16(14)24-18)22(26)25-17-8-9-31-23(17)27/h4-7,10-12,17H,8-9H2,1-3H3,(H,25,26)/t17-/m0/s1