7-(4-azanyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-azanyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)SCCC5N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)SCCC5N

InChI

InChI=1S/C21H20N2O4S2/c1-27-19-11(16-8-13-15(22)6-7-28-21(13)29-16)4-5-12-17(19)23(10-2-3-10)9-14(18(12)24)20(25)26/h4-5,8-10,15H,2-3,6-7,22H2,1H3,(H,25,26)