pentamethyl 4-azanyl-5-sulfanylidene-1H-quinoline-2,3,6,7,8-pentacarboxylate

Systemtic Name: pentamethyl 4-azanyl-5-sulfanylidene-1H-quinoline-2,3,6,7,8-pentacarboxylate Openeye Name: pentamethyl 4-amino-5-thioxo-1H-quinoline-2,3,6,7,8-pentacarboxylate CAS Name: 4-amino-5-sulfanylidene-1H-quinoline-2,3,6,7,8-pentacarboxylic acid pentamethyl ester IUPAC Name: pentamethyl 4-amino-5-sulfanylidene-1H-quinoline-2,3,6,7,8-pentacarboxylate Traditional Name: 4-amino-5-thioxo-1H-quinoline-2,3,6,7,8-pentacarboxylic acid pentamethyl ester Formula: C19H18N2O10S MolecularWeight: 466.41862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=S)C2=C(C(=C(NC2=C1C(=O)OC)C(=O)OC)C(=O)OC)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=S)C2=C(C(=C(NC2=C1C(=O)OC)C(=O)OC)C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C19H18N2O10S/c1-27-15(22)6-7(16(23)28-2)12-9(14(32)8(6)17(24)29-3)11(20)10(18(25)30-4)13(21-12)19(26)31-5/h21H,20H2,1-5H3