N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[[7-methoxy-4-(3-pyridinyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(7-methoxy-4-pyridin-3-ylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]thio]acetamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3CCS(=O)(=O)C3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N[C@H]3CCS(=O)(=O)C3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N3O4S2/c1-28-16-4-5-17-18(14-3-2-7-22-11-14)10-21(24-19(17)9-16)29-12-20(25)23-15-6-8-30(26,27)13-15/h2-5,7,9-11,15H,6,8,12-13H2,1H3,(H,23,25)/t15-/m0/s1