N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(3-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-(3-methoxyphenyl)cinchoninamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C21H20N2O4S/c1-27-16-6-4-5-14(11-16)20-12-18(17-7-2-3-8-19(17)23-20)21(24)22-15-9-10-28(25,26)13-15/h2-8,11-12,15H,9-10,13H2,1H3,(H,22,24)/t15-/m0/s1