(5S)-8,8-dimethyl-6-oxidanylidene-2-sulfanylidene-5-thiophen-2-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate

Systemtic Name: (5S)-8,8-dimethyl-6-oxidanylidene-2-sulfanylidene-5-thiophen-2-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate Openeye Name: (5S)-8,8-dimethyl-6-oxo-5-(2-thienyl)-2-thioxo-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate CAS Name: (5S)-8,8-dimethyl-6-oxo-2-sulfanylidene-5-thiophen-2-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate IUPAC Name: (5S)-8,8-dimethyl-6-oxo-2-sulfanylidene-5-thiophen-2-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate Traditional Name: (5S)-6-keto-8,8-dimethyl-5-(2-thienyl)-2-thioxo-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate Formula: C17H16N3O2S2- MolecularWeight: 358.45784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)NC(=S)N=C3[O-])C4=CC=CS4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C3=C(N2)NC(=S)N=C3[O-])C4=CC=CS4)C(=O)C1)C

InChI

InChI=1S/C17H17N3O2S2/c1-17(2)6-8-11(9(21)7-17)12(10-4-3-5-24-10)13-14(18-8)19-16(23)20-15(13)22/h3-5,12H,6-7H2,1-2H3,(H3,18,19,20,22,23)/p-1/t12-/m1/s1