7-ethoxycarbonyl-8,9-dimethyl-4-oxidanylidene-3,6-diphenyl-6H-pyrimido[2,1-b][1,3]thiazin-5-ium-2-olate

Systemtic Name: 7-ethoxycarbonyl-8,9-dimethyl-4-oxidanylidene-3,6-diphenyl-6H-pyrimido[2,1-b][1,3]thiazin-5-ium-2-olate Openeye Name: 7-ethoxycarbonyl-8,9-dimethyl-4-oxo-3,6-diphenyl-6H-pyrimido[2,1-b][1,3]thiazin-5-ium-2-olate CAS Name: 7-ethoxycarbonyl-8,9-dimethyl-4-oxo-3,6-diphenyl-6H-pyrimido[2,1-b][1,3]thiazin-5-ium-2-olate IUPAC Name: 7-ethoxycarbonyl-8,9-dimethyl-4-oxo-3,6-diphenyl-6H-pyrimido[2,1-b][1,3]thiazin-5-ium-2-olate Traditional Name: 7-carbethoxy-4-keto-8,9-dimethyl-3,6-diphenyl-6H-pyrimido[2,1-b][1,3]thiazin-5-ium-2-olate Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=[N+](C1C3=CC=CC=C3)C(=O)C(=C(S2)[O-])C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=[N+](C1C3=CC=CC=C3)C(=O)C(=C(S2)[O-])C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H22N2O4S/c1-4-30-22(28)18-15(2)25(3)24-26(20(18)17-13-9-6-10-14-17)21(27)19(23(29)31-24)16-11-7-5-8-12-16/h5-14,20H,4H2,1-3H3